2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide

C17H17ClN4O — CID 70735389

IUPAC2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCN(C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C
InChIInChI=1S/C17H17ClN4O/c1-4-21(2)17(23)11-9-14-16(19-10-11)22(3)15(20-14)12-7-5-6-8-13(12)18/h5-10H,4H2,1-3H3
InChIKeySCMLRDDGZXTSSN-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.38
Rot. Bonds3

About 2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide

2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70735389) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70735389
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCN(C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C
InChIInChI=1S/C17H17ClN4O/c1-4-21(2)17(23)11-9-14-16(19-10-11)22(3)15(20-14)12-7-5-6-8-13(12)18/h5-10H,4H2,1-3H3
InChIKeySCMLRDDGZXTSSN-UHFFFAOYSA-N
XLogP3.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide (CID 70735389) is 2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide is CCN(C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is SCMLRDDGZXTSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-4-21(2)17(23)11-9-14-16(19-10-11)22(3)15(20-14)12-7-5-6-8-13(12)18/h5-10H,4H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70735389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).