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

C12H12N2O2S — CID 103762909

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc[nH]c(=O)c2)s1
InChIInChI=1S/C12H12N2O2S/c1-8-2-3-10(17-8)7-14-12(16)9-4-5-13-11(15)6-9/h2-6H,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyLQHHFSOCCNOQCD-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.67
Rot. Bonds3

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

N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103762909) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103762909
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc[nH]c(=O)c2)s1
InChIInChI=1S/C12H12N2O2S/c1-8-2-3-10(17-8)7-14-12(16)9-4-5-13-11(15)6-9/h2-6H,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyLQHHFSOCCNOQCD-UHFFFAOYSA-N
XLogP1.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257144
N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47288761
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47450227
4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 82832866
N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
CID 61242487
5-hydroxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 55258652
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
2-methyl-N-[2-(5-methylthiophen-2-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 77083299

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 103762909) is N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2cc[nH]c(=O)c2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is LQHHFSOCCNOQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-2-3-10(17-8)7-14-12(16)9-4-5-13-11(15)6-9/h2-6H,7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103762909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).