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

C16H14ClN3O — CID 5395416

IUPAC1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESC/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c1-10-8-11(2)20(16(21)15(10)9-18)19-12(3)13-4-6-14(17)7-5-13/h4-8H,1-3H3/b19-12+
InChIKeyJAQODRGERFVLOS-XDHOZWIPSA-N
MW299.76 g/mol
LogP3.26
Rot. Bonds2

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

1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 5395416) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID5395416
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESC/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c1-10-8-11(2)20(16(21)15(10)9-18)19-12(3)13-4-6-14(17)7-5-13/h4-8H,1-3H3/b19-12+
InChIKeyJAQODRGERFVLOS-XDHOZWIPSA-N
XLogP3.26
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.26
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)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 5395416) is 1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is JAQODRGERFVLOS-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-8-11(2)20(16(21)15(10)9-18)19-12(3)13-4-6-14(17)7-5-13/h4-8H,1-3H3/b19-12+.
What are the key properties of 1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 299.76 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 5395416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).