2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile

C25H19N3O2 — CID 164573976

IUPAC2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile
SMILESCOc1cc(-n2cc(-c3ccccc3C#N)cc(-c3cccc(C)c3)c2=O)ccn1
InChIInChI=1S/C25H19N3O2/c1-17-6-5-8-18(12-17)23-13-20(22-9-4-3-7-19(22)15-26)16-28(25(23)29)21-10-11-27-24(14-21)30-2/h3-14,16H,1-2H3
InChIKeyUBKRALRTTSFPAR-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.76
Rot. Bonds4

About 2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile

2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile (PubChem CID 164573976) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile
PubChem CID164573976
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile
SMILESCOc1cc(-n2cc(-c3ccccc3C#N)cc(-c3cccc(C)c3)c2=O)ccn1
InChIInChI=1S/C25H19N3O2/c1-17-6-5-8-18(12-17)23-13-20(22-9-4-3-7-19(22)15-26)16-28(25(23)29)21-10-11-27-24(14-21)30-2/h3-14,16H,1-2H3
InChIKeyUBKRALRTTSFPAR-UHFFFAOYSA-N
XLogP4.76
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile;hydrochloride
CID 23650677
CID 175689737
CID 175689737
2-[1-(4-fluorophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 22318982
2-[1-(4-aminophenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 10155666
2-(2-oxo-5-phenyl-1-pyridin-2-yl-3-pyridinyl)benzonitrile
CID 10132540
2-[1-[3-(cyanomethyl)phenyl]-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 10221864
2-[1-[3-[1-(dimethylamino)ethoxy]phenyl]-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 22319165
2-[1-(2-methylphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 150641386
methyl 5-(2-cyanophenyl)-6-oxo-1-phenylpyridine-3-carboxylate
CID 22319231
2-[5-(3-hydroxy-2-pyridinyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile;2-[2-oxo-1-phenyl-5-(1,3-thiazol-2-yl)-3-pyridinyl]benzonitrile
CID 158615732
2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile
CID 67430776
2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile
CID 22318990

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile (CID 164573976) is 2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile is COc1cc(-n2cc(-c3ccccc3C#N)cc(-c3cccc(C)c3)c2=O)ccn1.
What is the InChIKey of 2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile?
The InChIKey is UBKRALRTTSFPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-17-6-5-8-18(12-17)23-13-20(22-9-4-3-7-19(22)15-26)16-28(25(23)29)21-10-11-27-24(14-21)30-2/h3-14,16H,1-2H3.
What are the key properties of 2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile?
2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile has a molecular weight of 393.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-4-pyridinyl)-5-(3-methylphenyl)-6-oxo-3-pyridinyl]benzonitrile is sourced from PubChem (CID 164573976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).