N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

C19H21N5O — CID 176506033

IUPACN-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1CCCNCC1)c1cnc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C19H21N5O/c25-19(23-15-5-4-9-20-10-8-15)14-11-17-18(21-12-14)24(13-22-17)16-6-2-1-3-7-16/h1-3,6-7,11-13,15,20H,4-5,8-10H2,(H,23,25)
InChIKeyCIXTYCWMLAERHU-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.29
Rot. Bonds3

About N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176506033) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176506033
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1CCCNCC1)c1cnc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C19H21N5O/c25-19(23-15-5-4-9-20-10-8-15)14-11-17-18(21-12-14)24(13-22-17)16-6-2-1-3-7-16/h1-3,6-7,11-13,15,20H,4-5,8-10H2,(H,23,25)
InChIKeyCIXTYCWMLAERHU-UHFFFAOYSA-N
XLogP2.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505475
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176500276
N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176502571
N-piperidin-3-ylbenzamide
CID 22017045
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 175641659
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
N-cyclopropyl-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277251
3-N-hydroxy-7-N-piperidin-4-ylquinoline-3,7-dicarboxamide
CID 88883035
4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686
2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013002

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (CID 176506033) is N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is O=C(NC1CCCNCC1)c1cnc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is CIXTYCWMLAERHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(23-15-5-4-9-20-10-8-15)14-11-17-18(21-12-14)24(13-22-17)16-6-2-1-3-7-16/h1-3,6-7,11-13,15,20H,4-5,8-10H2,(H,23,25).
What are the key properties of N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176506033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).