6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one

C12H13N3OS — CID 9024471

IUPAC6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one
SMILESCc1cc(N)n(/N=C\c2ccc(C)s2)c(=O)c1
InChIInChI=1S/C12H13N3OS/c1-8-5-11(13)15(12(16)6-8)14-7-10-4-3-9(2)17-10/h3-7H,13H2,1-2H3/b14-7-
InChIKeyZJALHZTWNYIISE-AUWJEWJLSA-N
MW247.32 g/mol
LogP1.99
Rot. Bonds2

About 6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one

6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one (PubChem CID 9024471) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one.

Molecular Properties

Compound Name6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one
PubChem CID9024471
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one
SMILESCc1cc(N)n(/N=C\c2ccc(C)s2)c(=O)c1
InChIInChI=1S/C12H13N3OS/c1-8-5-11(13)15(12(16)6-8)14-7-10-4-3-9(2)17-10/h3-7H,13H2,1-2H3/b14-7-
InChIKeyZJALHZTWNYIISE-AUWJEWJLSA-N
XLogP1.99
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771017
6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024403
6-amino-4-methyl-1-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridin-2-one
CID 9024577
6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one
CID 9397818
6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024322
4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 5397001
6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
CID 9024918
6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376478
6-amino-1-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4-methylpyridin-2-one
CID 9024552
6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one
CID 9024345
6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
CID 9025204

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one?
The IUPAC name of 6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one (CID 9024471) is 6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one.
What is the SMILES notation for 6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one?
The canonical SMILES for 6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one is Cc1cc(N)n(/N=C\c2ccc(C)s2)c(=O)c1.
What is the InChIKey of 6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one?
The InChIKey is ZJALHZTWNYIISE-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-5-11(13)15(12(16)6-8)14-7-10-4-3-9(2)17-10/h3-7H,13H2,1-2H3/b14-7-.
What are the key properties of 6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one?
6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one has a molecular weight of 247.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one is sourced from PubChem (CID 9024471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).