| CAS Number | 929974-77-6 |
| Catalog Number | AG00GUDN |
| Chemical Name | 4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carboxamide |
| IUPAC Name | 4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide |
| InChI | InChI=1S/C14H15N3O/c15-14(18)17-7-5-10(6-8-17)12-9-16-13-4-2-1-3-11(12)13/h1-5,9,16H,6-8H2,(H2,15,18) |
| InChI Key | WMBRGYRLCPRDHR-UHFFFAOYSA-N |
| MDL Number | MFCD08729249 |
| Molecular Formula | C14H15N3O |
| Molecular Weight | 241.2884 |
| SMILES | O=C(N1CC=C(C2=CNC3=C2C=CC=C3)CC1)N |
| Synonyms | 4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carboxamide,
929974-77-6,
4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carboxamide,
EN300-26677,
4-(1H-Indol-3-yl)-5,6-dihydropyridine-1(2H)-carboxamide,
AC1Q4ZT1,
CTK7D3427,
ZINC12505281,
AKOS027427193,
MCULE-8060640516,
NE14037,
J-513219,
Z228474714,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.294g/mol |
| Monoisotopic Mass | 241.122g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number