| CAS Number | 954563-82-7 |
| Catalog Number | AG01AANT |
| Chemical Name | 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide |
| IUPAC Name | 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide |
| InChI | InChI=1S/C11H16N4O/c12-10(16)9-3-1-5-14-11(9)15-7-2-4-13-6-8-15/h1,3,5,13H,2,4,6-8H2,(H2,12,16) |
| InChI Key | YQMIQSUMYBZKFY-UHFFFAOYSA-N |
| MDL Number | MFCD09740134 |
| Molecular Formula | C11H16N4O |
| Molecular Weight | 220.2709 |
| SMILES | NC(C1=C(N2CCNCCC2)N=CC=C1)=O |
| Synonyms | 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide,
954563-82-7,
2-(1,4-DIAZEPAN-1-YL)NICOTINAMIDE,
Z1222331422,
EN300-69115,
AC1Q4Z6Y,
CTK7D2846,
ZINC22223550,
AKOS000146055,
MCULE-2026613417,
NE58600,
BC4150921,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.276g/mol |
| Monoisotopic Mass | 220.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number