2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide

C20H22ClN5O — CID 46879571

IUPAC2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2C1CCCCC1
InChIInChI=1S/C20H22ClN5O/c21-15-9-5-4-6-13(15)12-23-20-25-19-17(11-10-16(24-19)18(22)27)26(20)14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H2,22,27)(H,23,24,25)
InChIKeyGEIIVNQHQSHMFD-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.30
Rot. Bonds5

About 2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide

2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 46879571) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID46879571
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2C1CCCCC1
InChIInChI=1S/C20H22ClN5O/c21-15-9-5-4-6-13(15)12-23-20-25-19-17(11-10-16(24-19)18(22)27)26(20)14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H2,22,27)(H,23,24,25)
InChIKeyGEIIVNQHQSHMFD-UHFFFAOYSA-N
XLogP4.30
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
Diphenyl purine derivative 2
CID 72713199
Otenabant hydrochloride
CID 16223963
Diphenyl purine derivative 5
CID 72713196
4-Chloranyl-1-Methyl-2-[4-(4-Methylpiperazin-1-Yl)phenyl]pyrrolo[2,3-B]pyridine-6-Carboxamide
CID 129012056
1-[(3,5-dichloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132339
N-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]benzamide
CID 71455551
4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
CID 1121185
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
N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 3614184
pan-PIM Inhibitor CS11
CID 133080605

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide (CID 46879571) is 2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide is NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2C1CCCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is GEIIVNQHQSHMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c21-15-9-5-4-6-13(15)12-23-20-25-19-17(11-10-16(24-19)18(22)27)26(20)14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H2,22,27)(H,23,24,25).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-cyclohexylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 46879571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).