2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide

C18H19ClN4O — CID 14390388

IUPAC2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C18H19ClN4O/c1-3-11-22(2)16(24)12-23-17(13-6-8-14(19)9-7-13)21-15-5-4-10-20-18(15)23/h4-10H,3,11-12H2,1-2H3
InChIKeyKWZZRQDEJAQJKD-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.62
Rot. Bonds5

About 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide

2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide (PubChem CID 14390388) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide
PubChem CID14390388
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C18H19ClN4O/c1-3-11-22(2)16(24)12-23-17(13-6-8-14(19)9-7-13)21-15-5-4-10-20-18(15)23/h4-10H,3,11-12H2,1-2H3
InChIKeyKWZZRQDEJAQJKD-UHFFFAOYSA-N
XLogP3.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide (CID 14390388) is 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide?
The InChIKey is KWZZRQDEJAQJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-3-11-22(2)16(24)12-23-17(13-6-8-14(19)9-7-13)21-15-5-4-10-20-18(15)23/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide?
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide has a molecular weight of 342.83 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 14390388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).