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

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Related Compounds

2-[1-[2-[(4-chlorophenyl)methyl-(cyclopropylmethyl)amino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 90440521
1-[(4-chlorophenyl)methyl]-4-phenylimidazole
CID 18755603
2-[1-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid;2-[1-[2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 159647884
(Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine
CID 145046214
2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
CID 90407056
N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzamide
CID 50769142
1-(3-chlorophenyl)-3-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 53058493
1-[(4-aminophenyl)methyl]imidazole-4-carboxylic acid
CID 97032468
2-[1-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 85470886
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]pyridine-4-carboxamide
CID 130384069
2-[2-[1-[[4-(5-chloropyrimidin-2-yl)phenyl]methyl]piperidin-4-yl]-4-fluorophenyl]pyridine-4-carboxamide
CID 66884542
2-(chloromethyl)pyridine-4-carboxamide
CID 22993396

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).