N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide

C12H19N3O3S — CID 81234637

IUPACN-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-3-5-14-11-4-6-13-9-10(11)12(16)15-7-8-19(2,17)18/h4,6,9H,3,5,7-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWFZMKNNCBAJHAT-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.68
Rot. Bonds7

About N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide

N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81234637) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
PubChem CID81234637
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-3-5-14-11-4-6-13-9-10(11)12(16)15-7-8-19(2,17)18/h4,6,9H,3,5,7-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWFZMKNNCBAJHAT-UHFFFAOYSA-N
XLogP0.68
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
N-[2-[ethyl(methyl)amino]ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240941
4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81242256
N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 114701819
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630
N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106342677
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
CID 106280042
4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81241625
4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 81242250

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide (CID 81234637) is N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NCCS(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is WFZMKNNCBAJHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-5-14-11-4-6-13-9-10(11)12(16)15-7-8-19(2,17)18/h4,6,9H,3,5,7-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide?
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81234637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).