6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide

C12H19N3O3S — CID 79557087

IUPAC6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H19N3O3S/c1-12(2,19(4,17)18)8-14-11(16)9-6-5-7-10(13-3)15-9/h5-7H,8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyDOEFHVCMZLOKTA-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.68
Rot. Bonds5

About 6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide

6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide (PubChem CID 79557087) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide
PubChem CID79557087
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCC(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H19N3O3S/c1-12(2,19(4,17)18)8-14-11(16)9-6-5-7-10(13-3)15-9/h5-7H,8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyDOEFHVCMZLOKTA-UHFFFAOYSA-N
XLogP0.68
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide
CID 114944097
6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 62238654
6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342479
6-(methylamino)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 62238570
N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239245
N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide
CID 114162803
6-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 62308602
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050169
6-(ethylamino)-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 104765646
6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897654
6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide
CID 62239696
6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62240294

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide (CID 79557087) is 6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide is CNc1cccc(C(=O)NCC(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide?
The InChIKey is DOEFHVCMZLOKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(2,19(4,17)18)8-14-11(16)9-6-5-7-10(13-3)15-9/h5-7H,8H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of 6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide?
6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 79557087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).