N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide

C20H21ClN4O2 — CID 53159382

IUPACN-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESO=C(Cn1c(=O)n(C2CCCC2)c2ncccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O2/c21-15-9-7-14(8-10-15)12-23-18(26)13-24-17-6-3-11-22-19(17)25(20(24)27)16-4-1-2-5-16/h3,6-11,16H,1-2,4-5,12-13H2,(H,23,26)
InChIKeyJRWISVJWHQPEJC-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.28
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (PubChem CID 53159382) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
PubChem CID53159382
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESO=C(Cn1c(=O)n(C2CCCC2)c2ncccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O2/c21-15-9-7-14(8-10-15)12-23-18(26)13-24-17-6-3-11-22-19(17)25(20(24)27)16-4-1-2-5-16/h3,6-11,16H,1-2,4-5,12-13H2,(H,23,26)
InChIKeyJRWISVJWHQPEJC-UHFFFAOYSA-N
XLogP3.28
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 71841276
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 71841297
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-propan-2-ylacetamide
CID 53159374
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95099415
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 53159343
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(3-ethylphenyl)acetamide
CID 53159371
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 53159341
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 71841294
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53159372
N-[(4-chlorophenyl)methyl]-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685619
2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 4012970
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 41240480

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (CID 53159382) is N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is O=C(Cn1c(=O)n(C2CCCC2)c2ncccc21)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The InChIKey is JRWISVJWHQPEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-15-9-7-14(8-10-15)12-23-18(26)13-24-17-6-3-11-22-19(17)25(20(24)27)16-4-1-2-5-16/h3,6-11,16H,1-2,4-5,12-13H2,(H,23,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide has a molecular weight of 384.87 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 53159382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).