1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide

C13H19N3O4S — CID 146086459

IUPAC1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2CCCN(S(C)(=O)=O)C2)c1=O
InChIInChI=1S/C13H19N3O4S/c1-15-7-4-6-11(13(15)18)12(17)14-10-5-3-8-16(9-10)21(2,19)20/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,17)
InChIKeyQMXFLJFELXNKEM-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.46
Rot. Bonds3

About 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide

1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide (PubChem CID 146086459) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide
PubChem CID146086459
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2CCCN(S(C)(=O)=O)C2)c1=O
InChIInChI=1S/C13H19N3O4S/c1-15-7-4-6-11(13(15)18)12(17)14-10-5-3-8-16(9-10)21(2,19)20/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,17)
InChIKeyQMXFLJFELXNKEM-UHFFFAOYSA-N
XLogP-0.46
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
2-[2-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182608
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871264
5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide
CID 47909931
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736
N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 146124574
6-hydroxy-N-(1-methylsulfonylpiperidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 49081677

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide (CID 146086459) is 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NC2CCCN(S(C)(=O)=O)C2)c1=O.
What is the InChIKey of 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is QMXFLJFELXNKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-15-7-4-6-11(13(15)18)12(17)14-10-5-3-8-16(9-10)21(2,19)20/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide?
1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 146086459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).