N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide

C19H20ClN5O2 — CID 167824327

IUPACN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)c2ccnc3c2ncn3C)cc1Cl
InChIInChI=1S/C19H20ClN5O2/c1-11(2)9-22-18(26)13-5-4-12(8-15(13)20)24-19(27)14-6-7-21-17-16(14)23-10-25(17)3/h4-8,10-11H,9H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyFVLSPAYADZKHIF-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.26
Rot. Bonds5

About N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide

N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 167824327) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide
PubChem CID167824327
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC NameN-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)c2ccnc3c2ncn3C)cc1Cl
InChIInChI=1S/C19H20ClN5O2/c1-11(2)9-22-18(26)13-5-4-12(8-15(13)20)24-19(27)14-6-7-21-17-16(14)23-10-25(17)3/h4-8,10-11H,9H2,1-3H3,(H,22,26)(H,24,27)
InChIKeyFVLSPAYADZKHIF-UHFFFAOYSA-N
XLogP3.26
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
CID 87028493
2-chloro-N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47325563
3-[[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077148
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119298613
4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19342029
4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide
CID 23967386
4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043948
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119740335
N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181373
5-[(2-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063129

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide (CID 167824327) is N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide is CC(C)CNC(=O)c1ccc(NC(=O)c2ccnc3c2ncn3C)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is FVLSPAYADZKHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-11(2)9-22-18(26)13-5-4-12(8-15(13)20)24-19(27)14-6-7-21-17-16(14)23-10-25(17)3/h4-8,10-11H,9H2,1-3H3,(H,22,26)(H,24,27).
What are the key properties of N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide?
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 167824327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).