6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide

C10H14N2O4S — CID 152875430

IUPAC6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C10H14N2O4S/c1-3-4-17(15,16)12-10(14)8-6-11-7(2)5-9(8)13/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyUAIBKAJJHZCVNP-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.15
Rot. Bonds4

About 6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide (PubChem CID 152875430) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide
PubChem CID152875430
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C10H14N2O4S/c1-3-4-17(15,16)12-10(14)8-6-11-7(2)5-9(8)13/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyUAIBKAJJHZCVNP-UHFFFAOYSA-N
XLogP0.15
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide (CID 152875430) is 6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide is CCCS(=O)(=O)NC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of 6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide?
The InChIKey is UAIBKAJJHZCVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-3-4-17(15,16)12-10(14)8-6-11-7(2)5-9(8)13/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-propylsulfonyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 152875430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).