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

C15H16N2O — CID 909595

IUPAC4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one
SMILESCc1cccc(C=Nn2c(C)cc(C)cc2=O)c1
InChIInChI=1S/C15H16N2O/c1-11-5-4-6-14(8-11)10-16-17-13(3)7-12(2)9-15(17)18/h4-10H,1-3H3
InChIKeyPTNFVJKUZWJGEA-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.66
Rot. Bonds2

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

4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one (PubChem CID 909595) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one
PubChem CID909595
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one
SMILESCc1cccc(C=Nn2c(C)cc(C)cc2=O)c1
InChIInChI=1S/C15H16N2O/c1-11-5-4-6-14(8-11)10-16-17-13(3)7-12(2)9-15(17)18/h4-10H,1-3H3
InChIKeyPTNFVJKUZWJGEA-UHFFFAOYSA-N
XLogP2.66
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(benzylideneamino)-4,6-dimethylpyridin-2-one
CID 909651
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine
CID 761592
1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
CID 909670
4,6-dimethyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 909654
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one
CID 23376464
3-(3-methylphenyl)-4-[(3-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 929573
2-[(2,4-dimethyl-6-oxo-1-pyridinyl)iminomethyl]-4-nitrophenolate
CID 2217504
(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
CID 15499601
1-(benzylideneamino)-6-methylpyrimidine-2,4-dione
CID 131877466
(Z)-N-(3-ethyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine
CID 110521798
1-[(Z)-(3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 5397033

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one?
The IUPAC name of 4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one (CID 909595) is 4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one is Cc1cccc(C=Nn2c(C)cc(C)cc2=O)c1.
What is the InChIKey of 4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one?
The InChIKey is PTNFVJKUZWJGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-5-4-6-14(8-11)10-16-17-13(3)7-12(2)9-15(17)18/h4-10H,1-3H3.
What are the key properties of 4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one?
4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one has a molecular weight of 240.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[(3-methylphenyl)methylideneamino]pyridin-2-one is sourced from PubChem (CID 909595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).