2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide

C16H13ClN4O — CID 90407159

IUPAC2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2cn(Cc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C16H13ClN4O/c17-13-3-1-11(2-4-13)8-21-9-15(20-10-21)14-7-12(16(18)22)5-6-19-14/h1-7,9-10H,8H2,(H2,18,22)
InChIKeyNHIWIMQRCCRMRZ-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.75
Rot. Bonds4

About 2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide

2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide (PubChem CID 90407159) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
PubChem CID90407159
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2cn(Cc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C16H13ClN4O/c17-13-3-1-11(2-4-13)8-21-9-15(20-10-21)14-7-12(16(18)22)5-6-19-14/h1-7,9-10H,8H2,(H2,18,22)
InChIKeyNHIWIMQRCCRMRZ-UHFFFAOYSA-N
XLogP2.75
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide (CID 90407159) is 2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide is NC(=O)c1ccnc(-c2cn(Cc3ccc(Cl)cc3)cn2)c1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide?
The InChIKey is NHIWIMQRCCRMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-13-3-1-11(2-4-13)8-21-9-15(20-10-21)14-7-12(16(18)22)5-6-19-14/h1-7,9-10H,8H2,(H2,18,22).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide?
2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 90407159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).