1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C15H13N3O — CID 6861579

IUPAC1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(/N=C/c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C15H13N3O/c1-11-8-12(2)18(15(19)14(11)9-16)17-10-13-6-4-3-5-7-13/h3-8,10H,1-2H3/b17-10+
InChIKeyYTODHHLHESCNOI-LICLKQGHSA-N
MW251.29 g/mol
LogP2.22
Rot. Bonds2

About 1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 6861579) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID6861579
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(/N=C/c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C15H13N3O/c1-11-8-12(2)18(15(19)14(11)9-16)17-10-13-6-4-3-5-7-13/h3-8,10H,1-2H3/b17-10+
InChIKeyYTODHHLHESCNOI-LICLKQGHSA-N
XLogP2.22
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 6861579) is 1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(/N=C/c2ccccc2)c(=O)c1C#N.
What is the InChIKey of 1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is YTODHHLHESCNOI-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-8-12(2)18(15(19)14(11)9-16)17-10-13-6-4-3-5-7-13/h3-8,10H,1-2H3/b17-10+.
What are the key properties of 1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-benzylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 6861579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).