N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide

C13H21N3O3S — CID 79864167

IUPACN-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)CCS(C)(=O)=O)ccn1
InChIInChI=1S/C13H21N3O3S/c1-4-6-14-12-10-11(5-7-15-12)13(17)16(2)8-9-20(3,18)19/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,15)
InChIKeyLEKRXXKQGWLOKY-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.02
Rot. Bonds7

About N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide

N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 79864167) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID79864167
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)CCS(C)(=O)=O)ccn1
InChIInChI=1S/C13H21N3O3S/c1-4-6-14-12-10-11(5-7-15-12)13(17)16(2)8-9-20(3,18)19/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,15)
InChIKeyLEKRXXKQGWLOKY-UHFFFAOYSA-N
XLogP1.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376210
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62176231
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62640587
N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62175245
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 63707435
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide
CID 115704020
2-(ethylamino)-N,N-dipropylpyridine-4-carboxamide
CID 62167745
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-ethyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62170484

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide (CID 79864167) is N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(C)CCS(C)(=O)=O)ccn1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is LEKRXXKQGWLOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-6-14-12-10-11(5-7-15-12)13(17)16(2)8-9-20(3,18)19/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide?
N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 79864167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).