N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide

C16H13ClN4O — CID 35374886

IUPACN-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)c(Cl)c1
InChIInChI=1S/C16H13ClN4O/c1-11-2-4-14(13(17)8-11)20-16(22)12-3-5-15(19-9-12)21-7-6-18-10-21/h2-10H,1H3,(H,20,22)
InChIKeyZJBUGPNUNRTCRM-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.48
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide

N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 35374886) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID35374886
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)c(Cl)c1
InChIInChI=1S/C16H13ClN4O/c1-11-2-4-14(13(17)8-11)20-16(22)12-3-5-15(19-9-12)21-7-6-18-10-21/h2-10H,1H3,(H,20,22)
InChIKeyZJBUGPNUNRTCRM-UHFFFAOYSA-N
XLogP3.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-imidazol-1-yl-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 35375174
N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 37064847
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide
CID 46488346
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 24666723
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 134001981
6-imidazol-1-yl-N-pyrazolo[1,5-a]pyrimidin-7-ylpyridine-3-carboxamide
CID 146121645
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide (CID 35374886) is N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is ZJBUGPNUNRTCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-11-2-4-14(13(17)8-11)20-16(22)12-3-5-15(19-9-12)21-7-6-18-10-21/h2-10H,1H3,(H,20,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 35374886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).