2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide

C12H18N4O3S — CID 112530815

IUPAC2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESCS(=O)(=O)NCc1cc(C(=O)NC2CCNC2)ccn1
InChIInChI=1S/C12H18N4O3S/c1-20(18,19)15-8-11-6-9(2-5-14-11)12(17)16-10-3-4-13-7-10/h2,5-6,10,13,15H,3-4,7-8H2,1H3,(H,16,17)
InChIKeyFSUVDKXOHPRARZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.78
Rot. Bonds5

About 2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide

2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide (PubChem CID 112530815) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
PubChem CID112530815
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESCS(=O)(=O)NCc1cc(C(=O)NC2CCNC2)ccn1
InChIInChI=1S/C12H18N4O3S/c1-20(18,19)15-8-11-6-9(2-5-14-11)12(17)16-10-3-4-13-7-10/h2,5-6,10,13,15H,3-4,7-8H2,1H3,(H,16,17)
InChIKeyFSUVDKXOHPRARZ-UHFFFAOYSA-N
XLogP-0.78
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530809
4-(pyridin-2-ylmethylsulfamoyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 70787674
N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
CID 112531128
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide
CID 112529108
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
3-(2-pyrazin-2-ylethylsulfamoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 99928832
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
CID 119428584
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 90121945
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
3-(pyridin-3-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77084633

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide (CID 112530815) is 2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide is CS(=O)(=O)NCc1cc(C(=O)NC2CCNC2)ccn1.
What is the InChIKey of 2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The InChIKey is FSUVDKXOHPRARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-20(18,19)15-8-11-6-9(2-5-14-11)12(17)16-10-3-4-13-7-10/h2,5-6,10,13,15H,3-4,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 112530815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).