6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one

C12H11N3O — CID 20691464

IUPAC6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one
SMILESC=Nc1cc(-c2ccncc2)c(C)[nH]c1=O
InChIInChI=1S/C12H11N3O/c1-8-10(9-3-5-14-6-4-9)7-11(13-2)12(16)15-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyIZVCQHWBCIBWKZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.08
Rot. Bonds2

About 6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one

6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 20691464) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one
PubChem CID20691464
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one
SMILESC=Nc1cc(-c2ccncc2)c(C)[nH]c1=O
InChIInChI=1S/C12H11N3O/c1-8-10(9-3-5-14-6-4-9)7-11(13-2)12(16)15-8/h3-7H,2H2,1H3,(H,15,16)
InChIKeyIZVCQHWBCIBWKZ-UHFFFAOYSA-N
XLogP2.08
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one 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

ethene;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 22605028
potassium;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile;hydroxide
CID 67782045
6-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-5-pyridin-4-yl-1H-pyridin-2-one
CID 136962131
6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 70513872
3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one
CID 20514967
3,5-dipyridin-4-yl-1H-pyridin-2-one
CID 46316548
6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide
CID 70482718
3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 14978532
3-chloro-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 20515034
6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767882
5-chloro-3-pyridin-4-yl-1H-pyridin-2-one
CID 46315317
2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one
CID 117260877

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one (CID 20691464) is 6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one is C=Nc1cc(-c2ccncc2)c(C)[nH]c1=O.
What is the InChIKey of 6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is IZVCQHWBCIBWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8-10(9-3-5-14-6-4-9)7-11(13-2)12(16)15-8/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of 6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one?
6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 213.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylideneamino)-5-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 20691464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).