6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide

C12H12N2O2S — CID 114040347

IUPAC6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide
SMILESO=C(NCCc1ccsc1)c1cccc(=O)[nH]1
InChIInChI=1S/C12H12N2O2S/c15-11-3-1-2-10(14-11)12(16)13-6-4-9-5-7-17-8-9/h1-3,5,7-8H,4,6H2,(H,13,16)(H,14,15)
InChIKeyFOIJQKAFYVVHSD-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.41
Rot. Bonds4

About 6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide

6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide (PubChem CID 114040347) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide
PubChem CID114040347
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide
SMILESO=C(NCCc1ccsc1)c1cccc(=O)[nH]1
InChIInChI=1S/C12H12N2O2S/c15-11-3-1-2-10(14-11)12(16)13-6-4-9-5-7-17-8-9/h1-3,5,7-8H,4,6H2,(H,13,16)(H,14,15)
InChIKeyFOIJQKAFYVVHSD-UHFFFAOYSA-N
XLogP1.41
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiophen-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 110475807
2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide
CID 103890273
N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
CID 170939358
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
N-(2-thiophen-3-ylethyl)-1H-indole-4-carboxamide
CID 60863712
N-[2-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261354
2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51078200
N-[2-(2-methoxyethylamino)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040293
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 115549494
2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide
CID 104547749
N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040308

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide (CID 114040347) is 6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide is O=C(NCCc1ccsc1)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide?
The InChIKey is FOIJQKAFYVVHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-11-3-1-2-10(14-11)12(16)13-6-4-9-5-7-17-8-9/h1-3,5,7-8H,4,6H2,(H,13,16)(H,14,15).
What are the key properties of 6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide?
6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).