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

C15H13N3O2 — CID 717685

IUPAC1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(N=Cc2ccc(O)cc2)c(=O)c1C#N
InChIInChI=1S/C15H13N3O2/c1-10-7-11(2)18(15(20)14(10)8-16)17-9-12-3-5-13(19)6-4-12/h3-7,9,19H,1-2H3
InChIKeyKHVNTRNBEHYNMS-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.92
Rot. Bonds2

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

1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 717685) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID717685
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(N=Cc2ccc(O)cc2)c(=O)c1C#N
InChIInChI=1S/C15H13N3O2/c1-10-7-11(2)18(15(20)14(10)8-16)17-9-12-3-5-13(19)6-4-12/h3-7,9,19H,1-2H3
InChIKeyKHVNTRNBEHYNMS-UHFFFAOYSA-N
XLogP1.92
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 717685) is 1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(N=Cc2ccc(O)cc2)c(=O)c1C#N.
What is the InChIKey of 1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is KHVNTRNBEHYNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-7-11(2)18(15(20)14(10)8-16)17-9-12-3-5-13(19)6-4-12/h3-7,9,19H,1-2H3.
What are the key properties of 1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 267.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 717685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).