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

C16H14BrN3O — CID 717796

IUPAC1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCC(=Nn1c(C)cc(C)c(C#N)c1=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O/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
InChIKeyIBLZACPVWVRFCP-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.37
Rot. Bonds2

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

1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 717796) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID717796
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCC(=Nn1c(C)cc(C)c(C#N)c1=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O/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
InChIKeyIBLZACPVWVRFCP-UHFFFAOYSA-N
XLogP3.37
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.37
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-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 717796) is 1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is CC(=Nn1c(C)cc(C)c(C#N)c1=O)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is IBLZACPVWVRFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/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.
What are the key properties of 1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 344.21 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 717796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).