2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide

C14H16N2O2S — CID 77083299

IUPAC2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(C)s2)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O2S/c1-9-7-11(8-13(17)16-9)14(18)15-6-5-12-4-3-10(2)19-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyWEPRTMPEANVYSJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.03
Rot. Bonds4

About 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide

2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 77083299) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID77083299
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(C)s2)cc(=O)[nH]1
InChIInChI=1S/C14H16N2O2S/c1-9-7-11(8-13(17)16-9)14(18)15-6-5-12-4-3-10(2)19-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyWEPRTMPEANVYSJ-UHFFFAOYSA-N
XLogP2.03
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762909
2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 77087256
2-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 110698624
5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70715052
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 77098009
2,3-difluoro-6-methoxy-N-[2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90648676
N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698591
N-(3-bromo-4-methylphenyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698722
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99950061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide (CID 77083299) is 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(C(=O)NCCc2ccc(C)s2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is WEPRTMPEANVYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-7-11(8-13(17)16-9)14(18)15-6-5-12-4-3-10(2)19-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide?
2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 77083299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).