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

C19H22ClN5O — CID 70726709

IUPAC2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C
InChIInChI=1S/C19H22ClN5O/c1-23(2)9-10-24(3)19(26)13-11-16-18(21-12-13)25(4)17(22-16)14-7-5-6-8-15(14)20/h5-8,11-12H,9-10H2,1-4H3
InChIKeySUVAIOJRKAPHAQ-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.92
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70726709) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70726709
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C
InChIInChI=1S/C19H22ClN5O/c1-23(2)9-10-24(3)19(26)13-11-16-18(21-12-13)25(4)17(22-16)14-7-5-6-8-15(14)20/h5-8,11-12H,9-10H2,1-4H3
InChIKeySUVAIOJRKAPHAQ-UHFFFAOYSA-N
XLogP2.92
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide (CID 70726709) is 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide is CN(C)CCN(C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is SUVAIOJRKAPHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-23(2)9-10-24(3)19(26)13-11-16-18(21-12-13)25(4)17(22-16)14-7-5-6-8-15(14)20/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70726709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).