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

C13H14N2O2S — CID 107261861

IUPAC6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(=O)[nH]1)c1cccs1
InChIInChI=1S/C13H14N2O2S/c1-2-9(11-6-4-8-18-11)15-13(17)10-5-3-7-12(16)14-10/h3-9H,2H2,1H3,(H,14,16)(H,15,17)
InChIKeyWDRARDXKDNOIPV-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.32
Rot. Bonds4

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

6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide (PubChem CID 107261861) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide
PubChem CID107261861
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(=O)[nH]1)c1cccs1
InChIInChI=1S/C13H14N2O2S/c1-2-9(11-6-4-8-18-11)15-13(17)10-5-3-7-12(16)14-10/h3-9H,2H2,1H3,(H,14,16)(H,15,17)
InChIKeyWDRARDXKDNOIPV-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide
CID 56876010
6-oxo-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyridine-2-carboxamide
CID 107261945
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide
CID 63118272
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
CID 131945847
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55034284
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]acetamide
CID 94194288

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide (CID 107261861) is 6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide is CCC(NC(=O)c1cccc(=O)[nH]1)c1cccs1.
What is the InChIKey of 6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide?
The InChIKey is WDRARDXKDNOIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-9(11-6-4-8-18-11)15-13(17)10-5-3-7-12(16)14-10/h3-9H,2H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide?
6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107261861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).