6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide

C15H16N2O2S — CID 104856721

IUPAC6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCCc3sccc32)c[nH]1
InChIInChI=1S/C15H16N2O2S/c1-9-7-13(18)11(8-16-9)15(19)17-12-3-2-4-14-10(12)5-6-20-14/h5-8,12H,2-4H2,1H3,(H,16,18)(H,17,19)
InChIKeyLXILZGJCQULXSZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.55
Rot. Bonds2

About 6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide (PubChem CID 104856721) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide
PubChem CID104856721
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCCc3sccc32)c[nH]1
InChIInChI=1S/C15H16N2O2S/c1-9-7-13(18)11(8-16-9)15(19)17-12-3-2-4-14-10(12)5-6-20-14/h5-8,12H,2-4H2,1H3,(H,16,18)(H,17,19)
InChIKeyLXILZGJCQULXSZ-UHFFFAOYSA-N
XLogP2.55
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844409
6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 75375644
6-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696348
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide
CID 62840417
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 55126711
2-(ethylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62843224
2-hydroxy-3-methoxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844241
5-amino-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62840249
3-bromo-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 81472327
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide
CID 63770554
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
N-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]but-2-ynamide
CID 125142184

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide (CID 104856721) is 6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCCc3sccc32)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide?
The InChIKey is LXILZGJCQULXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-7-13(18)11(8-16-9)15(19)17-12-3-2-4-14-10(12)5-6-20-14/h5-8,12H,2-4H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 104856721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).