3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one

C14H18N2OS — CID 82525337

IUPAC3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one
SMILESCCCn1c(C)ccc(C(N)c2cccs2)c1=O
InChIInChI=1S/C14H18N2OS/c1-3-8-16-10(2)6-7-11(14(16)17)13(15)12-5-4-9-18-12/h4-7,9,13H,3,8,15H2,1-2H3
InChIKeyAINWCTHIZGEIHR-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.68
Rot. Bonds4

About 3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one

3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one (PubChem CID 82525337) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one
PubChem CID82525337
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one
SMILESCCCn1c(C)ccc(C(N)c2cccs2)c1=O
InChIInChI=1S/C14H18N2OS/c1-3-8-16-10(2)6-7-11(14(16)17)13(15)12-5-4-9-18-12/h4-7,9,13H,3,8,15H2,1-2H3
InChIKeyAINWCTHIZGEIHR-UHFFFAOYSA-N
XLogP2.68
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[amino(thiophen-2-yl)methyl]-1-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82520922
4-[amino(thiophen-2-yl)methyl]-2-butyl-6-methylpyridazin-3-one
CID 82442949
3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523254
3-[amino-(2,5-dimethylphenyl)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525129
3-[amino(thiophen-2-yl)methyl]-6-methyl-1H-pyridin-2-one
CID 82525562
(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
CID 131300822
(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
CID 102803051
3-(2-amino-1,3-thiazol-4-yl)-6-methyl-1-propylpyridin-2-one
CID 82525318
2-[(R)-amino(thiophen-2-yl)methyl]-6-ethylphenol
CID 131474348
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine
CID 43464721

Frequently Asked Questions

What is the IUPAC name of 3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one?
The IUPAC name of 3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one (CID 82525337) is 3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one.
What is the SMILES notation for 3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one?
The canonical SMILES for 3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one is CCCn1c(C)ccc(C(N)c2cccs2)c1=O.
What is the InChIKey of 3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one?
The InChIKey is AINWCTHIZGEIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-8-16-10(2)6-7-11(14(16)17)13(15)12-5-4-9-18-12/h4-7,9,13H,3,8,15H2,1-2H3.
What are the key properties of 3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one?
3-[amino(thiophen-2-yl)methyl]-6-methyl-1-propylpyridin-2-one has a molecular weight of 262.38 g/mol, XLogP of 2.68, 4 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]-6-methyl-1-propylpyridin-2-one is sourced from PubChem (CID 82525337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).