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

C16H14Cl2N4O — CID 14390449

IUPAC2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccc(Cl)nc21
InChIInChI=1S/C16H14Cl2N4O/c1-21(2)14(23)9-22-15(10-3-5-11(17)6-4-10)19-12-7-8-13(18)20-16(12)22/h3-8H,9H2,1-2H3
InChIKeyMSZKIHUGOFVJBP-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.49
Rot. Bonds3

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

2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (PubChem CID 14390449) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
PubChem CID14390449
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccc(Cl)nc21
InChIInChI=1S/C16H14Cl2N4O/c1-21(2)14(23)9-22-15(10-3-5-11(17)6-4-10)19-12-7-8-13(18)20-16(12)22/h3-8H,9H2,1-2H3
InChIKeyMSZKIHUGOFVJBP-UHFFFAOYSA-N
XLogP3.49
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (CID 14390449) is 2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccc(Cl)nc21.
What is the InChIKey of 2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The InChIKey is MSZKIHUGOFVJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c1-21(2)14(23)9-22-15(10-3-5-11(17)6-4-10)19-12-7-8-13(18)20-16(12)22/h3-8H,9H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide has a molecular weight of 349.22 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 14390449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).