2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide

C17H17ClN4O — CID 15099493

IUPAC2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)n(CC(=O)N(C)C)c2n1
InChIInChI=1S/C17H17ClN4O/c1-11-4-9-14-17(19-11)22(10-15(23)21(2)3)16(20-14)12-5-7-13(18)8-6-12/h4-9H,10H2,1-3H3
InChIKeyZYSCVNPZVKAQAL-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.15
Rot. Bonds3

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

2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (PubChem CID 15099493) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
PubChem CID15099493
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)n(CC(=O)N(C)C)c2n1
InChIInChI=1S/C17H17ClN4O/c1-11-4-9-14-17(19-11)22(10-15(23)21(2)3)16(20-14)12-5-7-13(18)8-6-12/h4-9H,10H2,1-3H3
InChIKeyZYSCVNPZVKAQAL-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (CID 15099493) is 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide is Cc1ccc2nc(-c3ccc(Cl)cc3)n(CC(=O)N(C)C)c2n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The InChIKey is ZYSCVNPZVKAQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-11-4-9-14-17(19-11)22(10-15(23)21(2)3)16(20-14)12-5-7-13(18)8-6-12/h4-9H,10H2,1-3H3.
What are the key properties of 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide has a molecular weight of 328.80 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 15099493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).