4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one

C9H12N2O — CID 147721930

IUPAC4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one
SMILESC=NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-6-4-7(2)11-9(12)8(6)5-10-3/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyLBPQUIXIAMGCGD-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.19
Rot. Bonds2

About 4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one

4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one (PubChem CID 147721930) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one
PubChem CID147721930
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one
SMILESC=NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-6-4-7(2)11-9(12)8(6)5-10-3/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyLBPQUIXIAMGCGD-UHFFFAOYSA-N
XLogP1.19
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Pyridinecarboxamide, 1,2-dihydro-4,6-dimethyl-2-oxo-
CID 3016040
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
CID 7063844
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
CID 43810451
3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate
CID 67124140
6-methyl-2-oxo-1H-pyridine-3,4-dicarboxamide
CID 280063
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506759
3-(Aminomethyl)-6-tert-butyl-1,2-dihydropyridin-2-one hydrochloride
CID 126809337
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpent-2-enamide
CID 72155658
3-(Aminomethyl)-6-methyl-4-(trifluoromethyl)-2(1h)-pyridinone
CID 67124055
4-(Aminomethyl)-6-methylpyridin-2-OL
CID 72216163
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one hydrochloride
CID 90102279
3-(Aminomethyl)-6-tert-butyl-1,2-dihydropyridin-2-one
CID 61659032

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one (CID 147721930) is 4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one is C=NCc1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one?
The InChIKey is LBPQUIXIAMGCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-4-7(2)11-9(12)8(6)5-10-3/h4H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[(methylideneamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 147721930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).