| CAS Number | 552814-16-1 |
| Catalog Number | AG019MPX(AGN-PC-0WC2DV) |
| Chemical Name | N-(4-Amino-2-methoxyphenyl)nicotinamide |
| IUPAC Name | N-(4-amino-2-methoxyphenyl)pyridine-3-carboxamide |
| InChI | InChI=1S/C13H13N3O2/c1-18-12-7-10(14)4-5-11(12)16-13(17)9-3-2-6-15-8-9/h2-8H,14H2,1H3,(H,16,17) |
| InChI Key | FYMHBXHJILVCKD-UHFFFAOYSA-N |
| MDL Number | MFCD02585685 |
| Molecular Formula | C13H13N3O2 |
| Molecular Weight | 243.2612 |
| SMILES | COC1=C(NC(C2=CN=CC=C2)=O)C=CC(N)=C1 |
| Synonyms | N-(4-amino-2-methoxyphenyl)nicotinamide,
N-(4-amino-2-methoxyphenyl)pyridine-3-carboxamide,
552814-16-1,
AC1LH39I,
AC1Q45QV,
Oprea1_858088,
SCHEMBL16592594,
CTK6J8512,
ZINC411547,
AKOS000127059,
MCULE-8176334218,
NE41340,
AJ-22806,
TR-065962,
EN300-36913,
Z381031100,
CID856136,
N-(4-amino-2-methoxy-phenyl)pyridine-3-carboxamide,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.266g/mol |
| Monoisotopic Mass | 243.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number