4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C9H9N3O — CID 163431485

IUPAC4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESC/C=N/c1cc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C9H9N3O/c1-3-11-8-4-6(2)12-9(13)7(8)5-10/h3-4H,1-2H3,(H,12,13)/b11-3+
InChIKeyAQVRRAMZUAVKEP-QDEBKDIKSA-N
MW175.19 g/mol
LogP1.28
Rot. Bonds1

About 4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 163431485) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID163431485
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESC/C=N/c1cc(C)[nH]c(=O)c1C#N
InChIInChI=1S/C9H9N3O/c1-3-11-8-4-6(2)12-9(13)7(8)5-10/h3-4H,1-2H3,(H,12,13)/b11-3+
InChIKeyAQVRRAMZUAVKEP-QDEBKDIKSA-N
XLogP1.28
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Pyridinecarbonitrile, 1,2-dihydro-4-(dimethylamino)-6-methyl-2-oxo-
CID 660920
4-(Ethylamino)-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 12913241
6-Methyl-4-(methylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 12046761
3,6-dimethyl-4-[[(2E)-penta-2,4-dienylidene]amino]-1H-pyridin-2-one
CID 143129716

Frequently Asked Questions

What is the IUPAC name of 4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 163431485) is 4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is C/C=N/c1cc(C)[nH]c(=O)c1C#N.
What is the InChIKey of 4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is AQVRRAMZUAVKEP-QDEBKDIKSA-N. The full InChI is InChI=1S/C9H9N3O/c1-3-11-8-4-6(2)12-9(13)7(8)5-10/h3-4H,1-2H3,(H,12,13)/b11-3+.
What are the key properties of 4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylideneamino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 163431485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).