5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one

C13H16N2OS — CID 62345735

IUPAC5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one
SMILESCCc1ccc(CNc2ccc(=O)n(C)c2)s1
InChIInChI=1S/C13H16N2OS/c1-3-11-5-6-12(17-11)8-14-10-4-7-13(16)15(2)9-10/h4-7,9,14H,3,8H2,1-2H3
InChIKeyPIWUZHJFHWNLBD-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.62
Rot. Bonds4

About 5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one

5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one (PubChem CID 62345735) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one
PubChem CID62345735
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one
SMILESCCc1ccc(CNc2ccc(=O)n(C)c2)s1
InChIInChI=1S/C13H16N2OS/c1-3-11-5-6-12(17-11)8-14-10-4-7-13(16)15(2)9-10/h4-7,9,14H,3,8H2,1-2H3
InChIKeyPIWUZHJFHWNLBD-UHFFFAOYSA-N
XLogP2.62
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 60930792
5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 102834614
5-[(5-ethylfuran-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345999
5-[1-(5-ethylthiophen-2-yl)ethylamino]-1-methylpyridin-2-one
CID 61334552
5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 60932450
2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82887384
1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
CID 60930659
5-(furan-2-ylmethylamino)-1-methylpyridin-2-one
CID 60930782
1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one
CID 61017248
5-[(4-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866090
4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65025343
5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one
CID 60931040

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one (CID 62345735) is 5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one is CCc1ccc(CNc2ccc(=O)n(C)c2)s1.
What is the InChIKey of 5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The InChIKey is PIWUZHJFHWNLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-11-5-6-12(17-11)8-14-10-4-7-13(16)15(2)9-10/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one?
5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one has a molecular weight of 248.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 62345735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).