1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile

C14H9N3O — CID 103893869

IUPAC1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccc(Cn2cccc(C#N)c2=O)c1
InChIInChI=1S/C14H9N3O/c15-8-11-3-1-4-12(7-11)10-17-6-2-5-13(9-16)14(17)18/h1-7H,10H2
InChIKeyCKGDDXZQUSJSKV-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.64
Rot. Bonds2

About 1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile

1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 103893869) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID103893869
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccc(Cn2cccc(C#N)c2=O)c1
InChIInChI=1S/C14H9N3O/c15-8-11-3-1-4-12(7-11)10-17-6-2-5-13(9-16)14(17)18/h1-7H,10H2
InChIKeyCKGDDXZQUSJSKV-UHFFFAOYSA-N
XLogP1.64
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 113231573
3-[[2-(aminomethyl)pyrrol-1-yl]methyl]benzonitrile
CID 66407949
3-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]benzonitrile
CID 82150610
1-[(3-cyanophenyl)methyl]indole-4-carbonitrile
CID 107918998
3-[(2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 43120908
4-[(3-cyano-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 107017483
3-[[2-(methylaminomethyl)pyrrol-1-yl]methyl]benzonitrile
CID 66402324
1-[(3-cyanophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902720
3-[4-[(3-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
CID 71142060
2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carbonitrile
CID 103520095
3-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 66423584
2-oxo-1-(thiophen-2-ylmethyl)pyridine-3-carbonitrile
CID 102974949

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile (CID 103893869) is 1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile is N#Cc1cccc(Cn2cccc(C#N)c2=O)c1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is CKGDDXZQUSJSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c15-8-11-3-1-4-12(7-11)10-17-6-2-5-13(9-16)14(17)18/h1-7H,10H2.
What are the key properties of 1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile?
1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 103893869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).