4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

C25H20ClN5O2 — CID 10298091

IUPAC4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cncc1C(NC(=O)c1cn(C)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1
InChIInChI=1S/C25H20ClN5O2/c1-30-14-21(20(11-23(30)32)18-4-3-5-19(26)10-18)25(33)29-24(22-13-28-15-31(22)2)17-8-6-16(12-27)7-9-17/h3-11,13-15,24H,1-2H3,(H,29,33)
InChIKeyMYQZBFYAZBUAIF-UHFFFAOYSA-N
MW457.92 g/mol
LogP3.83
Rot. Bonds5

About 4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 10298091) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID10298091
Molecular FormulaC25H20ClN5O2
Molecular Weight457.92 g/mol
Exact Mass457.13
IUPAC Name4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cncc1C(NC(=O)c1cn(C)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1
InChIInChI=1S/C25H20ClN5O2/c1-30-14-21(20(11-23(30)32)18-4-3-5-19(26)10-18)25(33)29-24(22-13-28-15-31(22)2)17-8-6-16(12-27)7-9-17/h3-11,13-15,24H,1-2H3,(H,29,33)
InChIKeyMYQZBFYAZBUAIF-UHFFFAOYSA-N
XLogP3.83
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

L-778123
CID 216454
4-{[5-({[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino}methyl)-1H-imidazol-1-yl]methyl}benzonitrile
CID 9845018
4-[(5-{[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]carbonyl}-1H-imidazol-1-yl)methyl]benzonitrile
CID 23646762
4-[(5-{amino[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile
CID 23646763
N-{[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl})methyl}formamide
CID 23646764
4-[(1-{[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methyl}-1H-imidazol-5-yl)methyl]benzonitrile
CID 23646765
4-[(1-{[5-(3-chlorophenyl)-8-methyl-7-oxo-7,8-dihydro-1,8-naphthyridin-3-yl]methyl}-1H-imidazol-5-yl)methyl]benzonitrile
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Azole, 20
CID 11517747
4-{5-[(S)-2-Butyl-4-(3-chloro-phenyl)-5-oxo-piperazin-1-ylmethyl]-imidazol-1-ylmethyl}-benzonitrile
CID 10504242
4-[[5-[[[(4S)-2-(3-chlorophenyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 12017392
4-[[5-[[(2S)-2-butyl-4-(4-chlorophenyl)-5-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 44445078
2-chloro-N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 10298091) is 4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cncc1C(NC(=O)c1cn(C)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is MYQZBFYAZBUAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c1-30-14-21(20(11-23(30)32)18-4-3-5-19(26)10-18)25(33)29-24(22-13-28-15-31(22)2)17-8-6-16(12-27)7-9-17/h3-11,13-15,24H,1-2H3,(H,29,33).
What are the key properties of 4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 10298091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).