6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile

C18H13N3O — CID 168584768

IUPAC6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3ccccn3)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H13N3O/c1-12-10-15(16(11-19)18(22)21-12)13-5-7-14(8-6-13)17-4-2-3-9-20-17/h2-10H,1H3,(H,21,22)
InChIKeyJEDGXWHBTSNJPQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.28
Rot. Bonds2

About 6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile (PubChem CID 168584768) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile
PubChem CID168584768
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3ccccn3)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H13N3O/c1-12-10-15(16(11-19)18(22)21-12)13-5-7-14(8-6-13)17-4-2-3-9-20-17/h2-10H,1H3,(H,21,22)
InChIKeyJEDGXWHBTSNJPQ-UHFFFAOYSA-N
XLogP3.28
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-oxo-4-pyridin-2-yl-1H-pyridine-3-carbonitrile
CID 82470815
4-[4-(5-cyano-2-pyridinyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585620
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
6-methyl-2-oxo-4-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyridine-3-carbonitrile
CID 168585170
4-[4-[(2-bromophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586570
3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid
CID 168585684
4-[3-(2-fluorophenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584670
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168585220
6-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587033
4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586733

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile (CID 168584768) is 6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(-c3ccccn3)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile?
The InChIKey is JEDGXWHBTSNJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-12-10-15(16(11-19)18(22)21-12)13-5-7-14(8-6-13)17-4-2-3-9-20-17/h2-10H,1H3,(H,21,22).
What are the key properties of 6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168584768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).