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

C15H13ClN4O — CID 14390228

IUPAC2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2cccnc21
InChIInChI=1S/C15H13ClN4O/c1-17-13(21)9-20-14(10-4-2-5-11(16)8-10)19-12-6-3-7-18-15(12)20/h2-8H,9H2,1H3,(H,17,21)
InChIKeyDYGHAFSEOLARJZ-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.50
Rot. Bonds3

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

2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide (PubChem CID 14390228) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide
PubChem CID14390228
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2cccnc21
InChIInChI=1S/C15H13ClN4O/c1-17-13(21)9-20-14(10-4-2-5-11(16)8-10)19-12-6-3-7-18-15(12)20/h2-8H,9H2,1H3,(H,17,21)
InChIKeyDYGHAFSEOLARJZ-UHFFFAOYSA-N
XLogP2.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide (CID 14390228) is 2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide is CNC(=O)Cn1c(-c2cccc(Cl)c2)nc2cccnc21.
What is the InChIKey of 2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide?
The InChIKey is DYGHAFSEOLARJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-17-13(21)9-20-14(10-4-2-5-11(16)8-10)19-12-6-3-7-18-15(12)20/h2-8H,9H2,1H3,(H,17,21).
What are the key properties of 2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide?
2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide has a molecular weight of 300.75 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide is sourced from PubChem (CID 14390228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).