2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide

C16H13ClN4O — CID 71847605

IUPAC2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc2ncccc2[nH]1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O/c17-10-5-3-9(4-6-10)11-8-12(11)15(22)21-16-19-13-2-1-7-18-14(13)20-16/h1-7,11-12H,8H2,(H2,18,19,20,21,22)
InChIKeyLICWBOZRQWUUJK-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.35
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide

2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide (PubChem CID 71847605) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide
PubChem CID71847605
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc2ncccc2[nH]1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O/c17-10-5-3-9(4-6-10)11-8-12(11)15(22)21-16-19-13-2-1-7-18-14(13)20-16/h1-7,11-12H,8H2,(H2,18,19,20,21,22)
InChIKeyLICWBOZRQWUUJK-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide (CID 71847605) is 2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nc2ncccc2[nH]1)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is LICWBOZRQWUUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-10-5-3-9(4-6-10)11-8-12(11)15(22)21-16-19-13-2-1-7-18-14(13)20-16/h1-7,11-12H,8H2,(H2,18,19,20,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71847605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).