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

C21H24ClN5O — CID 46879570

IUPAC2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2CC1CCCCC1
InChIInChI=1S/C21H24ClN5O/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/h4-5,8-11,14H,1-3,6-7,12-13H2,(H2,23,28)(H,24,25,26)
InChIKeyBFLMKJRVPWWRGY-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.38
Rot. Bonds6

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

2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 46879570) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID46879570
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2CC1CCCCC1
InChIInChI=1S/C21H24ClN5O/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/h4-5,8-11,14H,1-3,6-7,12-13H2,(H2,23,28)(H,24,25,26)
InChIKeyBFLMKJRVPWWRGY-UHFFFAOYSA-N
XLogP4.38
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide (CID 46879570) is 2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide is NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2CC1CCCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is BFLMKJRVPWWRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/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/h4-5,8-11,14H,1-3,6-7,12-13H2,(H2,23,28)(H,24,25,26).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-1-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.38, 6 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-(cyclohexylmethyl)imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 46879570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).