N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide

C20H21N5O2 — CID 176505536

IUPACN-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cnc3c(c2)ncn3Cc2ccccc2)C1
InChIInChI=1S/C20H21N5O2/c1-14(26)23-17-7-8-24(12-17)20(27)16-9-18-19(21-10-16)25(13-22-18)11-15-5-3-2-4-6-15/h2-6,9-10,13,17H,7-8,11-12H2,1H3,(H,23,26)
InChIKeySJFKAQQNWJDUSQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.83
Rot. Bonds4

About N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide

N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 176505536) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID176505536
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cnc3c(c2)ncn3Cc2ccccc2)C1
InChIInChI=1S/C20H21N5O2/c1-14(26)23-17-7-8-24(12-17)20(27)16-9-18-19(21-10-16)25(13-22-18)11-15-5-3-2-4-6-15/h2-6,9-10,13,17H,7-8,11-12H2,1H3,(H,23,26)
InChIKeySJFKAQQNWJDUSQ-UHFFFAOYSA-N
XLogP1.83
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506320
4-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)piperidin-4-yl]-1H-pyridin-2-one
CID 176506848
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazole-5-carbonyl]pyrrolidin-3-yl]acetamide
CID 167917392
(3-methoxypyrrolidin-1-yl)-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505470
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
(3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 176501949
[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-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506963
2-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 176500676
[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 175641326
1-benzyl-1-ethyl-3-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 11257107
3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504166

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide (CID 176505536) is N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)c2cnc3c(c2)ncn3Cc2ccccc2)C1.
What is the InChIKey of N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is SJFKAQQNWJDUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14(26)23-17-7-8-24(12-17)20(27)16-9-18-19(21-10-16)25(13-22-18)11-15-5-3-2-4-6-15/h2-6,9-10,13,17H,7-8,11-12H2,1H3,(H,23,26).
What are the key properties of N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide?
N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 176505536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).