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

C21H24N4O2 — CID 176504304

IUPACN-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCC1CCCOC1)c1cnc2c(c1)ncn2CCc1ccccc1
InChIInChI=1S/C21H24N4O2/c26-21(23-12-17-7-4-10-27-14-17)18-11-19-20(22-13-18)25(15-24-19)9-8-16-5-2-1-3-6-16/h1-3,5-6,11,13,15,17H,4,7-10,12,14H2,(H,23,26)
InChIKeyLXTRKASRIJNMQA-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.83
Rot. Bonds6

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

N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176504304) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176504304
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCC1CCCOC1)c1cnc2c(c1)ncn2CCc1ccccc1
InChIInChI=1S/C21H24N4O2/c26-21(23-12-17-7-4-10-27-14-17)18-11-19-20(22-13-18)25(15-24-19)9-8-16-5-2-1-3-6-16/h1-3,5-6,11,13,15,17H,4,7-10,12,14H2,(H,23,26)
InChIKeyLXTRKASRIJNMQA-UHFFFAOYSA-N
XLogP2.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-3-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175641497
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506792
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500416
N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505475
N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 119067967
3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504166
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500918
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
[(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
1-(2-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-4-carboxamide
CID 146087948
4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126444759
N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326078

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176504304) is N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide is O=C(NCC1CCCOC1)c1cnc2c(c1)ncn2CCc1ccccc1.
What is the InChIKey of N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is LXTRKASRIJNMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-21(23-12-17-7-4-10-27-14-17)18-11-19-20(22-13-18)25(15-24-19)9-8-16-5-2-1-3-6-16/h1-3,5-6,11,13,15,17H,4,7-10,12,14H2,(H,23,26).
What are the key properties of N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176504304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).