4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile

C14H12N4O — CID 44725249

IUPAC4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile
SMILESCc1cc(C)n(/N=C/c2ccccn2)c(=O)c1C#N
InChIInChI=1S/C14H12N4O/c1-10-7-11(2)18(14(19)13(10)8-15)17-9-12-5-3-4-6-16-12/h3-7,9H,1-2H3/b17-9+
InChIKeyXDIZUBXQBYDZSS-RQZCQDPDSA-N
MW252.28 g/mol
LogP1.61
Rot. Bonds2

About 4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile

4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile (PubChem CID 44725249) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile
PubChem CID44725249
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile
SMILESCc1cc(C)n(/N=C/c2ccccn2)c(=O)c1C#N
InChIInChI=1S/C14H12N4O/c1-10-7-11(2)18(14(19)13(10)8-15)17-9-12-5-3-4-6-16-12/h3-7,9H,1-2H3/b17-9+
InChIKeyXDIZUBXQBYDZSS-RQZCQDPDSA-N
XLogP1.61
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile (CID 44725249) is 4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile is Cc1cc(C)n(/N=C/c2ccccn2)c(=O)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile?
The InChIKey is XDIZUBXQBYDZSS-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12N4O/c1-10-7-11(2)18(14(19)13(10)8-15)17-9-12-5-3-4-6-16-12/h3-7,9H,1-2H3/b17-9+.
What are the key properties of 4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile has a molecular weight of 252.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile is sourced from PubChem (CID 44725249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).