3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide

C12H19N3O3S — CID 105070655

IUPAC3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-12(2,19(4,17)18)8-15-11(16)9-5-6-14-7-10(9)13-3/h5-7,13H,8H2,1-4H3,(H,15,16)
InChIKeyQVDAASVQTWWHPL-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.68
Rot. Bonds5

About 3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide

3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide (PubChem CID 105070655) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
PubChem CID105070655
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-12(2,19(4,17)18)8-15-11(16)9-5-6-14-7-10(9)13-3/h5-7,13H,8H2,1-4H3,(H,15,16)
InChIKeyQVDAASVQTWWHPL-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

3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070656
N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide
CID 105069666
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide
CID 105070761
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(methylamino)pyridine-3-carboxamide
CID 81241660
3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 105070214
N-[2-(ethylsulfamoyl)ethyl]-3-(methylamino)pyridine-4-carboxamide
CID 106342578
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide
CID 106280202
3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105070238
N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide
CID 79558263
3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
CID 105069426
2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide
CID 106687009

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide (CID 105070655) is 3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide is CNc1cnccc1C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
The InChIKey is QVDAASVQTWWHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(2,19(4,17)18)8-15-11(16)9-5-6-14-7-10(9)13-3/h5-7,13H,8H2,1-4H3,(H,15,16).
What are the key properties of 3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide?
3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-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 3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105070655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).