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

C13H14N2O2S — CID 113257144

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc[nH]c(=O)c2)s1
InChIInChI=1S/C13H14N2O2S/c1-2-10-3-4-11(18-10)8-15-13(17)9-5-6-14-12(16)7-9/h3-7H,2,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyVZOUVPMCUZLLTA-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.93
Rot. Bonds4

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

N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 113257144) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID113257144
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc[nH]c(=O)c2)s1
InChIInChI=1S/C13H14N2O2S/c1-2-10-3-4-11(18-10)8-15-13(17)9-5-6-14-12(16)7-9/h3-7H,2,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyVZOUVPMCUZLLTA-UHFFFAOYSA-N
XLogP1.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.93
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
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46475867
4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011768
N-[2-(ethylamino)-2-oxoethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762717
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-6-methylpyridine-4-carboxamide
CID 106015823
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033
5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78876589
N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764055
N-(2,6-diethylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600773
N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide
CID 106011879
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 113257144) is N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide is CCc1ccc(CNC(=O)c2cc[nH]c(=O)c2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is VZOUVPMCUZLLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-10-3-4-11(18-10)8-15-13(17)9-5-6-14-12(16)7-9/h3-7H,2,8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 113257144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).