N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide

C21H24N4O3 — CID 153337742

IUPACN-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(n3c(=O)[nH]c4ncccc43)CC2)cc1C
InChIInChI=1S/C21H24N4O3/c1-13-12-15(7-10-18(13)28-2)23-20(26)14-5-8-16(9-6-14)25-17-4-3-11-22-19(17)24-21(25)27/h3-4,7,10-12,14,16H,5-6,8-9H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyAUPSLXIPIQFOOI-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.41
Rot. Bonds4

About N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide

N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide (PubChem CID 153337742) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide
PubChem CID153337742
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(n3c(=O)[nH]c4ncccc43)CC2)cc1C
InChIInChI=1S/C21H24N4O3/c1-13-12-15(7-10-18(13)28-2)23-20(26)14-5-8-16(9-6-14)25-17-4-3-11-22-19(17)24-21(25)27/h3-4,7,10-12,14,16H,5-6,8-9H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyAUPSLXIPIQFOOI-UHFFFAOYSA-N
XLogP3.41
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
CID 147015751
N-(1H-indol-6-yl)-4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxamide
CID 155466242
N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 151661173
N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide
CID 153337751
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-hydroxy-3-methylphenyl)cyclohexane-1-carboxamide
CID 153337782
benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate
CID 150634061
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide
CID 151686592
4-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-oxo-3H-benzimidazol-1-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
CID 155679470
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 22745299
ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 142441053
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide (CID 153337742) is N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCC(n3c(=O)[nH]c4ncccc43)CC2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is AUPSLXIPIQFOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-12-15(7-10-18(13)28-2)23-20(26)14-5-8-16(9-6-14)25-17-4-3-11-22-19(17)24-21(25)27/h3-4,7,10-12,14,16H,5-6,8-9H2,1-2H3,(H,23,26)(H,22,24,27).
What are the key properties of N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide?
N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 153337742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).