N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

C12H12N2O2S — CID 114040397

IUPACN-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cscc1CNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H12N2O2S/c1-8-6-17-7-9(8)5-13-12(16)10-3-2-4-11(15)14-10/h2-4,6-7H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyCIOOXJJRDAKYKK-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.67
Rot. Bonds3

About N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 114040397) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID114040397
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cscc1CNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H12N2O2S/c1-8-6-17-7-9(8)5-13-12(16)10-3-2-4-11(15)14-10/h2-4,6-7H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyCIOOXJJRDAKYKK-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-chlorothiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261709
6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide
CID 107261797
N-[2-(methylamino)-2-oxoethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261659
6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide
CID 114040347
N-(2-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261390
N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261784
6-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-pyridine-2-carboxamide
CID 107261483
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261569
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114170961
3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide
CID 81443108
4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide
CID 81233279
5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 115299175

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 114040397) is N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is Cc1cscc1CNC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is CIOOXJJRDAKYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-6-17-7-9(8)5-13-12(16)10-3-2-4-11(15)14-10/h2-4,6-7H,5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-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-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).