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

C14H9N3O — CID 168584520

IUPAC4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(C#N)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H9N3O/c1-9-5-12(13(8-16)14(18)17-9)11-4-2-3-10(6-11)7-15/h2-6H,1H3,(H,17,18)
InChIKeyZXEFVWWTRXGPCB-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.09
Rot. Bonds1

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

4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168584520) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168584520
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(C#N)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H9N3O/c1-9-5-12(13(8-16)14(18)17-9)11-4-2-3-10(6-11)7-15/h2-6H,1H3,(H,17,18)
InChIKeyZXEFVWWTRXGPCB-UHFFFAOYSA-N
XLogP2.09
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585760
4-[3-(3-hydroxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584648
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
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid
CID 168586784
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168585220
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
4-(3-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584512
4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586138

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168584520) is 4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cccc(C#N)c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZXEFVWWTRXGPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c1-9-5-12(13(8-16)14(18)17-9)11-4-2-3-10(6-11)7-15/h2-6H,1H3,(H,17,18).
What are the key properties of 4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168584520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).