N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide

C15H14N2O2S — CID 103336899

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCSc2ccccc21)c1c[nH]ccc1=O
InChIInChI=1S/C15H14N2O2S/c18-13-5-7-16-9-11(13)15(19)17-12-6-8-20-14-4-2-1-3-10(12)14/h1-5,7,9,12H,6,8H2,(H,16,18)(H,17,19)
InChIKeyNKPBAHQXOBXVSZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.34
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103336899) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103336899
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCSc2ccccc21)c1c[nH]ccc1=O
InChIInChI=1S/C15H14N2O2S/c18-13-5-7-16-9-11(13)15(19)17-12-6-8-20-14-4-2-1-3-10(12)14/h1-5,7,9,12H,6,8H2,(H,16,18)(H,17,19)
InChIKeyNKPBAHQXOBXVSZ-UHFFFAOYSA-N
XLogP2.34
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
CID 51173241
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976311
N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336788
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
CID 106741440
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzamide
CID 8894216
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylbenzamide
CID 80958800
4-acetyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrrole-2-carboxamide
CID 24616454
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27856338
6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 75375644
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 39017514
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
CID 47106126

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide (CID 103336899) is N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide is O=C(NC1CCSc2ccccc21)c1c[nH]ccc1=O.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NKPBAHQXOBXVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-13-5-7-16-9-11(13)15(19)17-12-6-8-20-14-4-2-1-3-10(12)14/h1-5,7,9,12H,6,8H2,(H,16,18)(H,17,19).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103336899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).