N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C13H14N2O2S — CID 46475867

IUPACN-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C13H14N2O2S/c1-2-10-4-5-11(18-10)8-15-13(17)9-3-6-12(16)14-7-9/h3-7H,2,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyQBORANNLOVLQSG-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.93
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 46475867) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID46475867
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C13H14N2O2S/c1-2-10-4-5-11(18-10)8-15-13(17)9-3-6-12(16)14-7-9/h3-7H,2,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyQBORANNLOVLQSG-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115577610
N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056
4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011768
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106011806
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033
5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78876589
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide
CID 106011879
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 106010055

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 46475867) is N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is CCc1ccc(CNC(=O)c2ccc(=O)[nH]c2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QBORANNLOVLQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-10-4-5-11(18-10)8-15-13(17)9-3-6-12(16)14-7-9/h3-7H,2,8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46475867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).