6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one

C16H17N3O — CID 9024345

IUPAC6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one
SMILESCC(/C=N\n1c(N)cc(C)cc1=O)=C\c1ccccc1
InChIInChI=1S/C16H17N3O/c1-12-9-15(17)19(16(20)10-12)18-11-13(2)8-14-6-4-3-5-7-14/h3-11H,17H2,1-2H3/b13-8+,18-11-
InChIKeyHJNFJMVDOPLKPB-ZGWWUUILSA-N
MW267.33 g/mol
LogP2.68
Rot. Bonds3

About 6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one

6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one (PubChem CID 9024345) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one.

Molecular Properties

Compound Name6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one
PubChem CID9024345
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one
SMILESCC(/C=N\n1c(N)cc(C)cc1=O)=C\c1ccccc1
InChIInChI=1S/C16H17N3O/c1-12-9-15(17)19(16(20)10-12)18-11-13(2)8-14-6-4-3-5-7-14/h3-11H,17H2,1-2H3/b13-8+,18-11-
InChIKeyHJNFJMVDOPLKPB-ZGWWUUILSA-N
XLogP2.68
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 110338043
1-(benzylideneamino)-4,6-dimethylpyridin-2-one
CID 909651
6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one
CID 23376464
6-amino-1-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024414
methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate
CID 9024468
6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one
CID 9024471
(E,E)-2-methyl-N-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 6901397
6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024322
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376478
6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
2-[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 9024774

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one?
The IUPAC name of 6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one (CID 9024345) is 6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one.
What is the SMILES notation for 6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one?
The canonical SMILES for 6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one is CC(/C=N\n1c(N)cc(C)cc1=O)=C\c1ccccc1.
What is the InChIKey of 6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one?
The InChIKey is HJNFJMVDOPLKPB-ZGWWUUILSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-9-15(17)19(16(20)10-12)18-11-13(2)8-14-6-4-3-5-7-14/h3-11H,17H2,1-2H3/b13-8+,18-11-.
What are the key properties of 6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one?
6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one is sourced from PubChem (CID 9024345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).