N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide

C16H13ClN4O — CID 130384069

IUPACN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn(Cc2cccc(Cl)c2)cn1)c1ccncc1
InChIInChI=1S/C16H13ClN4O/c17-14-3-1-2-12(8-14)9-21-10-15(19-11-21)20-16(22)13-4-6-18-7-5-13/h1-8,10-11H,9H2,(H,20,22)
InChIKeyWPSJYJCFJQJKCX-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.23
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide

N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide (PubChem CID 130384069) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
PubChem CID130384069
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn(Cc2cccc(Cl)c2)cn1)c1ccncc1
InChIInChI=1S/C16H13ClN4O/c17-14-3-1-2-12(8-14)9-21-10-15(19-11-21)20-16(22)13-4-6-18-7-5-13/h1-8,10-11H,9H2,(H,20,22)
InChIKeyWPSJYJCFJQJKCX-UHFFFAOYSA-N
XLogP3.23
TPSA59.81 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
CID 130384067
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-4-methylsulfonylbenzamide
CID 130384064
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetamide
CID 159939674
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(fluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 142742815
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carboxamide
CID 129205649
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-4-carboxamide
CID 35521557
6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224371
6-chloro-5-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129233123
N-[1-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209383
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403078
N-[1-(pyridin-3-ylmethyl)imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209382
3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide
CID 130384416

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide (CID 130384069) is N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide is O=C(Nc1cn(Cc2cccc(Cl)c2)cn1)c1ccncc1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide?
The InChIKey is WPSJYJCFJQJKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-14-3-1-2-12(8-14)9-21-10-15(19-11-21)20-16(22)13-4-6-18-7-5-13/h1-8,10-11H,9H2,(H,20,22).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide?
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 130384069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).