3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one

C18H18N2OS — CID 82520922

IUPAC3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one
SMILESCc1ccc(-c2ccc(C(N)c3cccs3)c(=O)n2C)cc1
InChIInChI=1S/C18H18N2OS/c1-12-5-7-13(8-6-12)15-10-9-14(18(21)20(15)2)17(19)16-4-3-11-22-16/h3-11,17H,19H2,1-2H3
InChIKeyFMDRJYCUYJOPMJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.47
Rot. Bonds3

About 3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one

3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one (PubChem CID 82520922) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one
PubChem CID82520922
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one
SMILESCc1ccc(-c2ccc(C(N)c3cccs3)c(=O)n2C)cc1
InChIInChI=1S/C18H18N2OS/c1-12-5-7-13(8-6-12)15-10-9-14(18(21)20(15)2)17(19)16-4-3-11-22-16/h3-11,17H,19H2,1-2H3
InChIKeyFMDRJYCUYJOPMJ-UHFFFAOYSA-N
XLogP3.47
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525337
3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one
CID 82525562
3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520127
(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
CID 131300822
(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
CID 102803051
4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one
CID 82442949
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(2,5-dimethylthiophen-3-yl)-thiophen-2-ylmethanamine
CID 43464516
(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171201828
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120

Frequently Asked Questions

What is the IUPAC name of 3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one?
The IUPAC name of 3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one (CID 82520922) is 3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one.
What is the SMILES notation for 3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one?
The canonical SMILES for 3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one is Cc1ccc(-c2ccc(C(N)c3cccs3)c(=O)n2C)cc1.
What is the InChIKey of 3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one?
The InChIKey is FMDRJYCUYJOPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-12-5-7-13(8-6-12)15-10-9-14(18(21)20(15)2)17(19)16-4-3-11-22-16/h3-11,17H,19H2,1-2H3.
What are the key properties of 3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one?
3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one has a molecular weight of 310.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one is sourced from PubChem (CID 82520922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).