5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one

C16H16N2OS2 — CID 60943670

IUPAC5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one
SMILESCCn1cc(NC(c2cccs2)c2cccs2)ccc1=O
InChIInChI=1S/C16H16N2OS2/c1-2-18-11-12(7-8-15(18)19)17-16(13-5-3-9-20-13)14-6-4-10-21-14/h3-11,16-17H,2H2,1H3
InChIKeyHJTPBFAARGMFMJ-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.19
Rot. Bonds5

About 5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one

5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one (PubChem CID 60943670) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one
PubChem CID60943670
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one
SMILESCCn1cc(NC(c2cccs2)c2cccs2)ccc1=O
InChIInChI=1S/C16H16N2OS2/c1-2-18-11-12(7-8-15(18)19)17-16(13-5-3-9-20-13)14-6-4-10-21-14/h3-11,16-17H,2H2,1H3
InChIKeyHJTPBFAARGMFMJ-UHFFFAOYSA-N
XLogP4.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridin-2-one
CID 54864039
1-ethyl-5-(heptan-3-ylamino)pyridin-2-one
CID 63944956
5-[1-(3-bromophenyl)propylamino]-1-ethylpyridin-2-one
CID 60943167
5-(2-aminoethylamino)-1-ethylpyridin-2-one
CID 130588922
N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 43764558
5-(cyclopropylamino)-1-ethylpyridin-2-one
CID 103439175
1-ethyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63950885
1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one
CID 60943542
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942913
5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one
CID 60930788
1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one
CID 66410985
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 62816363

Frequently Asked Questions

What is the IUPAC name of 5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one?
The IUPAC name of 5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one (CID 60943670) is 5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one.
What is the SMILES notation for 5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one?
The canonical SMILES for 5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one is CCn1cc(NC(c2cccs2)c2cccs2)ccc1=O.
What is the InChIKey of 5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one?
The InChIKey is HJTPBFAARGMFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-2-18-11-12(7-8-15(18)19)17-16(13-5-3-9-20-13)14-6-4-10-21-14/h3-11,16-17H,2H2,1H3.
What are the key properties of 5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one?
5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one has a molecular weight of 316.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiophen-2-ylmethylamino)-1-ethylpyridin-2-one is sourced from PubChem (CID 60943670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).