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

C17H17N3O — CID 6858421

IUPAC1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C17H17N3O/c1-4-14-5-7-15(8-6-14)11-19-20-13(3)9-12(2)16(10-18)17(20)21/h5-9,11H,4H2,1-3H3/b19-11+
InChIKeyYQSAQWRQJGEWOG-YBFXNURJSA-N
MW279.34 g/mol
LogP2.78
Rot. Bonds3

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

1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 6858421) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID6858421
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C17H17N3O/c1-4-14-5-7-15(8-6-14)11-19-20-13(3)9-12(2)16(10-18)17(20)21/h5-9,11H,4H2,1-3H3/b19-11+
InChIKeyYQSAQWRQJGEWOG-YBFXNURJSA-N
XLogP2.78
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.78
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)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 6858421) is 1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is CCc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1.
What is the InChIKey of 1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is YQSAQWRQJGEWOG-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17N3O/c1-4-14-5-7-15(8-6-14)11-19-20-13(3)9-12(2)16(10-18)17(20)21/h5-9,11H,4H2,1-3H3/b19-11+.
What are the key properties of 1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 279.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-ethylphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 6858421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).