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

C14H16N2O2S — CID 61381400

IUPAC6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1ccc(=O)[nH]c1)c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-2-4-11(12-5-3-8-19-12)16-14(18)10-6-7-13(17)15-9-10/h3,5-9,11H,2,4H2,1H3,(H,15,17)(H,16,18)
InChIKeyXDRNLGSOHCGJTA-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.71
Rot. Bonds5

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

6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide (PubChem CID 61381400) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
PubChem CID61381400
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
SMILESCCCC(NC(=O)c1ccc(=O)[nH]c1)c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-2-4-11(12-5-3-8-19-12)16-14(18)10-6-7-13(17)15-9-10/h3,5-9,11H,2,4H2,1H3,(H,15,17)(H,16,18)
InChIKeyXDRNLGSOHCGJTA-UHFFFAOYSA-N
XLogP2.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide
CID 125439641
6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 41023450
6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 66464915
4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide
CID 178026796
N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
CID 62907370
1-methyl-N-(1-thiophen-2-ylbutyl)benzotriazole-5-carboxamide
CID 56753214
2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid
CID 95143397
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide
CID 62161925
5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 61381170

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide (CID 61381400) is 6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide is CCCC(NC(=O)c1ccc(=O)[nH]c1)c1cccs1.
What is the InChIKey of 6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide?
The InChIKey is XDRNLGSOHCGJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-4-11(12-5-3-8-19-12)16-14(18)10-6-7-13(17)15-9-10/h3,5-9,11H,2,4H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide?
6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.71, 5 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-ylbutyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61381400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).