N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide

C21H25N5O — CID 176505475

IUPACN-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1CCCNCC1)c1cnc2c(c1)ncn2CCc1ccccc1
InChIInChI=1S/C21H25N5O/c27-21(25-18-7-4-10-22-11-8-18)17-13-19-20(23-14-17)26(15-24-19)12-9-16-5-2-1-3-6-16/h1-3,5-6,13-15,18,22H,4,7-12H2,(H,25,27)
InChIKeyBZAWIRGZPNJSTO-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.55
Rot. Bonds5

About N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176505475) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176505475
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1CCCNCC1)c1cnc2c(c1)ncn2CCc1ccccc1
InChIInChI=1S/C21H25N5O/c27-21(25-18-7-4-10-22-11-8-18)17-13-19-20(23-14-17)26(15-24-19)12-9-16-5-2-1-3-6-16/h1-3,5-6,13-15,18,22H,4,7-12H2,(H,25,27)
InChIKeyBZAWIRGZPNJSTO-UHFFFAOYSA-N
XLogP2.55
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500416
N-(oxolan-3-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175641497
N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506033
3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506320
N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504304
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506792
[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176506365
3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504166
N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013002
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176504399
N-(azepan-4-yl)-4-phenylbutanamide
CID 105059135

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176505475) is N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide is O=C(NC1CCCNCC1)c1cnc2c(c1)ncn2CCc1ccccc1.
What is the InChIKey of N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is BZAWIRGZPNJSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-21(25-18-7-4-10-22-11-8-18)17-13-19-20(23-14-17)26(15-24-19)12-9-16-5-2-1-3-6-16/h1-3,5-6,13-15,18,22H,4,7-12H2,(H,25,27).
What are the key properties of N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.55, 5 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-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176505475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).