ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide

C12H20N2O4S — CID 144731069

IUPACethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide
SMILESCC.Cc1cc(=O)c(C(=O)NS(=O)(=O)C(C)C)c[nH]1
InChIInChI=1S/C10H14N2O4S.C2H6/c1-6(2)17(15,16)12-10(14)8-5-11-7(3)4-9(8)13;1-2/h4-6H,1-3H3,(H,11,13)(H,12,14);1-2H3
InChIKeyJAWFTPHNKXFBGL-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.18
Rot. Bonds3

About ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide

ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide (PubChem CID 144731069) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide
PubChem CID144731069
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Nameethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide
SMILESCC.Cc1cc(=O)c(C(=O)NS(=O)(=O)C(C)C)c[nH]1
InChIInChI=1S/C10H14N2O4S.C2H6/c1-6(2)17(15,16)12-10(14)8-5-11-7(3)4-9(8)13;1-2/h4-6H,1-3H3,(H,11,13)(H,12,14);1-2H3
InChIKeyJAWFTPHNKXFBGL-UHFFFAOYSA-N
XLogP1.18
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide?
The IUPAC name of ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide (CID 144731069) is ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide?
The canonical SMILES for ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide is CC.Cc1cc(=O)c(C(=O)NS(=O)(=O)C(C)C)c[nH]1.
What is the InChIKey of ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide?
The InChIKey is JAWFTPHNKXFBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S.C2H6/c1-6(2)17(15,16)12-10(14)8-5-11-7(3)4-9(8)13;1-2/h4-6H,1-3H3,(H,11,13)(H,12,14);1-2H3.
What are the key properties of ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide?
ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-4-oxo-N-propan-2-ylsulfonyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 144731069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).