1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile

C23H16N6O — CID 18779786

IUPAC1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(C(Cc2ccc(-n3cc(C#N)ccc3=O)nc2)c2ncc[nH]2)cc1
InChIInChI=1S/C23H16N6O/c24-12-16-1-5-19(6-2-16)20(23-26-9-10-27-23)11-17-3-7-21(28-14-17)29-15-18(13-25)4-8-22(29)30/h1-10,14-15,20H,11H2,(H,26,27)
InChIKeyMMSWRWYRIJFMJZ-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.07
Rot. Bonds5

About 1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile

1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile (PubChem CID 18779786) has the molecular formula C23H16N6O and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile
PubChem CID18779786
Molecular FormulaC23H16N6O
Molecular Weight392.42 g/mol
Exact Mass392.14
IUPAC Name1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(C(Cc2ccc(-n3cc(C#N)ccc3=O)nc2)c2ncc[nH]2)cc1
InChIInChI=1S/C23H16N6O/c24-12-16-1-5-19(6-2-16)20(23-26-9-10-27-23)11-17-3-7-21(28-14-17)29-15-18(13-25)4-8-22(29)30/h1-10,14-15,20H,11H2,(H,26,27)
InChIKeyMMSWRWYRIJFMJZ-UHFFFAOYSA-N
XLogP3.07
TPSA111.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile with MolForge

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Related Compounds

N-(4'-Cyano[1,1'-biphenyl]-4-yl)-N'-[4-(3H-imidazo[4,5-b]pyridin-7-yl)phenyl] Urea
CID 57391832
4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3235310
6-(cyclohexylamino)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 57392258
(2S)-N-[(1S)-1-[4-cyano-2-(4-pyridin-3-ylphenyl)-1H-imidazol-5-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162647783
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11505187
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 11642625
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)benzamide
CID 11742693
4-{5-[(2-Oxo-1-pyridin-2-yl-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 11824866
N-(4-(6-aminopyridin-3-yl)-2-cyclohexenylphenyl)-4-cyano-1H-imidazole-2-carboxamide
CID 24759170
4-cyano-N-(2-cyclohexenyl-4-(pyridin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24759171
4-cyano-N-(2-cyclohexenyl-4-(pyridin-2-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24759173
4-cyano-N-(2-cyclohexenyl-4-(pyridin-3-yl)phenyl)-1H-imidazole-2-carboxamide
CID 49798465

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile (CID 18779786) is 1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile is N#Cc1ccc(C(Cc2ccc(-n3cc(C#N)ccc3=O)nc2)c2ncc[nH]2)cc1.
What is the InChIKey of 1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile?
The InChIKey is MMSWRWYRIJFMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O/c24-12-16-1-5-19(6-2-16)20(23-26-9-10-27-23)11-17-3-7-21(28-14-17)29-15-18(13-25)4-8-22(29)30/h1-10,14-15,20H,11H2,(H,26,27).
What are the key properties of 1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile?
1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile has a molecular weight of 392.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-cyanophenyl)-2-(1H-imidazol-2-yl)ethyl]-2-pyridinyl]-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 18779786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).