1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C15H12ClN3O — CID 717731

IUPAC1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(N=Cc2ccc(Cl)cc2)c(=O)c1C#N
InChIInChI=1S/C15H12ClN3O/c1-10-7-11(2)19(15(20)14(10)8-17)18-9-12-3-5-13(16)6-4-12/h3-7,9H,1-2H3
InChIKeyFRGHETWNXAGILM-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.87
Rot. Bonds2

About 1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 717731) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID717731
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(N=Cc2ccc(Cl)cc2)c(=O)c1C#N
InChIInChI=1S/C15H12ClN3O/c1-10-7-11(2)19(15(20)14(10)8-17)18-9-12-3-5-13(16)6-4-12/h3-7,9H,1-2H3
InChIKeyFRGHETWNXAGILM-UHFFFAOYSA-N
XLogP2.87
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.87
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-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 717731) is 1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(N=Cc2ccc(Cl)cc2)c(=O)c1C#N.
What is the InChIKey of 1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is FRGHETWNXAGILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-10-7-11(2)19(15(20)14(10)8-17)18-9-12-3-5-13(16)6-4-12/h3-7,9H,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 285.73 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 717731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).