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

C16H13ClN4O — CID 1473674

IUPACN-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H13ClN4O/c1-11-13(17)3-2-4-14(11)20-16(22)12-5-6-15(19-9-12)21-8-7-18-10-21/h2-10H,1H3,(H,20,22)
InChIKeyPTFHFIOEEJJJLG-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.48
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 1473674) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID1473674
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H13ClN4O/c1-11-13(17)3-2-4-14(11)20-16(22)12-5-6-15(19-9-12)21-8-7-18-10-21/h2-10H,1H3,(H,20,22)
InChIKeyPTFHFIOEEJJJLG-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

2,4-Bis(Azanyl)-6-[[(1~{s})-1-[5-Chloranyl-3-(5-Fluoranyl-4-Methyl-Pyridin-3-Yl)-4-Oxidanylidene-Quinazolin-2-Yl]ethyl]amino]pyrimidine-5-Carbonitrile
CID 86762886
Dipyridodiazepinone deriv. 14
CID 463143
Dipyridodiazepinone deriv. 15
CID 463144
5-Chloro-2-ethyl-9-methyl-13-[(phenylamino)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470669
5-Chloro-2-ethyl-9-methyl-13-{[methyl(phenyl)amino]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470674
13-{[(3-Aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470675
[3-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)phenyl]urea
CID 470748
13-[2-(4-Aminophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470756
13-[2-(3-Aminophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470757
3-(2,6-dichlorophenyl)-7-{[3-(1H-imidazol-1-yl)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328712
6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-ethylpiperidin-1-yl)methanone
CID 23725698

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide (CID 1473674) is N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is PTFHFIOEEJJJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-11-13(17)3-2-4-14(11)20-16(22)12-5-6-15(19-9-12)21-8-7-18-10-21/h2-10H,1H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
N-(3-chloro-2-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-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 1473674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).