N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide

C13H21N3O3S — CID 50980034

IUPACN-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCCN(C)S(C)(=O)=O)ccn1
InChIInChI=1S/C13H21N3O3S/c1-4-5-12-10-11(6-7-14-12)13(17)15-8-9-16(2)20(3,18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyHYLRSBHOLHZJSJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.66
Rot. Bonds7

About N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide

N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide (PubChem CID 50980034) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide
PubChem CID50980034
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCCN(C)S(C)(=O)=O)ccn1
InChIInChI=1S/C13H21N3O3S/c1-4-5-12-10-11(6-7-14-12)13(17)15-8-9-16(2)20(3,18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyHYLRSBHOLHZJSJ-UHFFFAOYSA-N
XLogP0.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
CID 119063323
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62640587
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
2-amino-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 106342687

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide?
The IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide (CID 50980034) is N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide?
The canonical SMILES for N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCCN(C)S(C)(=O)=O)ccn1.
What is the InChIKey of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide?
The InChIKey is HYLRSBHOLHZJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-5-12-10-11(6-7-14-12)13(17)15-8-9-16(2)20(3,18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide?
N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide is sourced from PubChem (CID 50980034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).