6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide

C12H16N2O2S — CID 103696488

IUPAC6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCSCC2)c[nH]1
InChIInChI=1S/C12H16N2O2S/c1-8-6-11(15)10(7-13-8)12(16)14-9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyIJGGPVWLBKYNKW-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.31
Rot. Bonds2

About 6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide (PubChem CID 103696488) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
PubChem CID103696488
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCSCC2)c[nH]1
InChIInChI=1S/C12H16N2O2S/c1-8-6-11(15)10(7-13-8)12(16)14-9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyIJGGPVWLBKYNKW-UHFFFAOYSA-N
XLogP1.31
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717406
6-methyl-4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide
CID 103933010
4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
CID 106741440
6-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carboxamide
CID 103717380
6-methyl-N-(6-methyl-3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 75375644
N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 90091418
N-(1-cyclopentylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247219
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718095
6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide
CID 104856721
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103716717
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
4-chloro-6-methyl-N-(thian-4-yl)pyridine-3-carboxamide
CID 115885297

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide (CID 103696488) is 6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCSCC2)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
The InChIKey is IJGGPVWLBKYNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-6-11(15)10(7-13-8)12(16)14-9-2-4-17-5-3-9/h6-7,9H,2-5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.31, 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-(thian-4-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103696488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).