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

C16H16N4O — CID 5428067

IUPAC1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESC/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(N)cc1
InChIInChI=1S/C16H16N4O/c1-10-8-11(2)20(16(21)15(10)9-17)19-12(3)13-4-6-14(18)7-5-13/h4-8H,18H2,1-3H3/b19-12+
InChIKeyWLIOKQSWVLMVJR-XDHOZWIPSA-N
MW280.33 g/mol
LogP2.19
Rot. Bonds2

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

1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 5428067) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID5428067
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESC/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(N)cc1
InChIInChI=1S/C16H16N4O/c1-10-8-11(2)20(16(21)15(10)9-17)19-12(3)13-4-6-14(18)7-5-13/h4-8H,18H2,1-3H3/b19-12+
InChIKeyWLIOKQSWVLMVJR-XDHOZWIPSA-N
XLogP2.19
TPSA84.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 5428067) is 1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(N)cc1.
What is the InChIKey of 1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is WLIOKQSWVLMVJR-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-8-11(2)20(16(21)15(10)9-17)19-12(3)13-4-6-14(18)7-5-13/h4-8H,18H2,1-3H3/b19-12+.
What are the key properties of 1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(4-aminophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 5428067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).