3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide

C17H15ClN4O — CID 90343271

IUPAC3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCc1ccc(-n2c(C(=O)NC3CC3)nc3cccnc32)cc1Cl
InChIInChI=1S/C17H15ClN4O/c1-10-4-7-12(9-13(10)18)22-15-14(3-2-8-19-15)21-16(22)17(23)20-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,20,23)
InChIKeyWMHAFHPEFGQMEO-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.27
Rot. Bonds3

About 3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide

3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 90343271) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide
PubChem CID90343271
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCc1ccc(-n2c(C(=O)NC3CC3)nc3cccnc32)cc1Cl
InChIInChI=1S/C17H15ClN4O/c1-10-4-7-12(9-13(10)18)22-15-14(3-2-8-19-15)21-16(22)17(23)20-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,20,23)
InChIKeyWMHAFHPEFGQMEO-UHFFFAOYSA-N
XLogP3.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide
CID 10052040
Otenabant hydrochloride
CID 16223963
Diphenyl purine derivative 5
CID 72713196
N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 67387753
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 130431343
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(3-chlorophenyl)methyl]propanamide
CID 16009054
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 20867287
3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
2-(4-Chlorophenyl)-8-[(3s)-Piperidin-3-Ylamino]imidazo[1,2-C]pyrimidine-5-Carboxamide
CID 72188683
3-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-1-methyl-1-propylurea
CID 155520181
3-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-1-methyl-1-(2-methylpropyl)urea
CID 155531899
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 155533651

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide (CID 90343271) is 3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide is Cc1ccc(-n2c(C(=O)NC3CC3)nc3cccnc32)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is WMHAFHPEFGQMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-10-4-7-12(9-13(10)18)22-15-14(3-2-8-19-15)21-16(22)17(23)20-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,20,23).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide?
3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 90343271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).