1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one

C12H14N2OS — CID 60931029

IUPAC1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one
SMILESCc1ccsc1CNc1ccc(=O)n(C)c1
InChIInChI=1S/C12H14N2OS/c1-9-5-6-16-11(9)7-13-10-3-4-12(15)14(2)8-10/h3-6,8,13H,7H2,1-2H3
InChIKeyNMAFYGFFHBQYRF-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.37
Rot. Bonds3

About 1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one

1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one (PubChem CID 60931029) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one
PubChem CID60931029
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one
SMILESCc1ccsc1CNc1ccc(=O)n(C)c1
InChIInChI=1S/C12H14N2OS/c1-9-5-6-16-11(9)7-13-10-3-4-12(15)14(2)8-10/h3-6,8,13H,7H2,1-2H3
InChIKeyNMAFYGFFHBQYRF-UHFFFAOYSA-N
XLogP2.37
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one (CID 60931029) is 1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one is Cc1ccsc1CNc1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one?
The InChIKey is NMAFYGFFHBQYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9-5-6-16-11(9)7-13-10-3-4-12(15)14(2)8-10/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one?
1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one has a molecular weight of 234.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 60931029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).