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

C16H15N3O — CID 5395413

IUPAC4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(/C=N\n2c(C)cc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C16H15N3O/c1-11-4-6-14(7-5-11)10-18-19-13(3)8-12(2)15(9-17)16(19)20/h4-8,10H,1-3H3/b18-10-
InChIKeyUFWOSOSCNQXBCY-ZDLGFXPLSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds2

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

4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile (PubChem CID 5395413) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
PubChem CID5395413
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(/C=N\n2c(C)cc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C16H15N3O/c1-11-4-6-14(7-5-11)10-18-19-13(3)8-12(2)15(9-17)16(19)20/h4-8,10H,1-3H3/b18-10-
InChIKeyUFWOSOSCNQXBCY-ZDLGFXPLSA-N
XLogP2.53
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.53
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 4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile (CID 5395413) is 4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile is Cc1ccc(/C=N\n2c(C)cc(C)c(C#N)c2=O)cc1.
What is the InChIKey of 4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The InChIKey is UFWOSOSCNQXBCY-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-4-6-14(7-5-11)10-18-19-13(3)8-12(2)15(9-17)16(19)20/h4-8,10H,1-3H3/b18-10-.
What are the key properties of 4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile?
4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 5395413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).