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

C21H18ClN5O — CID 46879573

IUPAC1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2Cc1ccccc1
InChIInChI=1S/C21H18ClN5O/c22-16-9-5-4-8-15(16)12-24-21-26-20-18(11-10-17(25-20)19(23)28)27(21)13-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,28)(H,24,25,26)
InChIKeyWXIZFJGRFZQGCX-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.84
Rot. Bonds6

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

1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 46879573) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID46879573
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2Cc1ccccc1
InChIInChI=1S/C21H18ClN5O/c22-16-9-5-4-8-15(16)12-24-21-26-20-18(11-10-17(25-20)19(23)28)27(21)13-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,28)(H,24,25,26)
InChIKeyWXIZFJGRFZQGCX-UHFFFAOYSA-N
XLogP3.84
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Diphenyl purine derivative 5
CID 72713196
N-((2-chlorophenyl)methyl)-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 82017756
N-Desethyl otenabant
CID 10480380
1-(2-chlorophenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153303
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
1-(2-chlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153309
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
N-[4-(1-butyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide
CID 3239208

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide (CID 46879573) is 1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide is NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is WXIZFJGRFZQGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c22-16-9-5-4-8-15(16)12-24-21-26-20-18(11-10-17(25-20)19(23)28)27(21)13-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,28)(H,24,25,26).
What are the key properties of 1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide?
1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 46879573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).