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

C23H22ClN5O — CID 14390370

IUPAC2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide
SMILESCN(C)c1ccc(N(C)C(=O)Cn2c(-c3ccc(Cl)cc3)nc3cccnc32)cc1
InChIInChI=1S/C23H22ClN5O/c1-27(2)18-10-12-19(13-11-18)28(3)21(30)15-29-22(16-6-8-17(24)9-7-16)26-20-5-4-14-25-23(20)29/h4-14H,15H2,1-3H3
InChIKeyAFQVOTACDVKMGU-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.48
Rot. Bonds5

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

2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide (PubChem CID 14390370) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide
PubChem CID14390370
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide
SMILESCN(C)c1ccc(N(C)C(=O)Cn2c(-c3ccc(Cl)cc3)nc3cccnc32)cc1
InChIInChI=1S/C23H22ClN5O/c1-27(2)18-10-12-19(13-11-18)28(3)21(30)15-29-22(16-6-8-17(24)9-7-16)26-20-5-4-14-25-23(20)29/h4-14H,15H2,1-3H3
InChIKeyAFQVOTACDVKMGU-UHFFFAOYSA-N
XLogP4.48
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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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-[4-(dimethylamino)phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide (CID 14390370) is 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide is CN(C)c1ccc(N(C)C(=O)Cn2c(-c3ccc(Cl)cc3)nc3cccnc32)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide?
The InChIKey is AFQVOTACDVKMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-27(2)18-10-12-19(13-11-18)28(3)21(30)15-29-22(16-6-8-17(24)9-7-16)26-20-5-4-14-25-23(20)29/h4-14H,15H2,1-3H3.
What are the key properties of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide?
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide has a molecular weight of 419.92 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide is sourced from PubChem (CID 14390370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).