5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride

C19H25ClN4O3S — CID 171708780

IUPAC5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNC(=O)c2cncc(CC3CCNC3)c2)cc1
InChIInChI=1S/C19H24N4O3S.ClH/c20-27(25,26)18-3-1-14(2-4-18)6-8-23-19(24)17-10-16(12-22-13-17)9-15-5-7-21-11-15;/h1-4,10,12-13,15,21H,5-9,11H2,(H,23,24)(H2,20,25,26);1H
InChIKeyLHEFBUCMDRMVLP-UHFFFAOYSA-N
MW424.95 g/mol
LogP1.28
Rot. Bonds7

About 5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride

5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 171708780) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is 5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
PubChem CID171708780
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC Name5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNC(=O)c2cncc(CC3CCNC3)c2)cc1
InChIInChI=1S/C19H24N4O3S.ClH/c20-27(25,26)18-3-1-14(2-4-18)6-8-23-19(24)17-10-16(12-22-13-17)9-15-5-7-21-11-15;/h1-4,10,12-13,15,21H,5-9,11H2,(H,23,24)(H2,20,25,26);1H
InChIKeyLHEFBUCMDRMVLP-UHFFFAOYSA-N
XLogP1.28
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171711960
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171709566
2-piperidin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 119673755
5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109101769
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171709608
5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide
CID 55257173
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 166618639
N-cyclopropyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109223606
2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride
CID 171709257
N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride
CID 171325623
N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109227677
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535829

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride (CID 171708780) is 5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(CCNC(=O)c2cncc(CC3CCNC3)c2)cc1.
What is the InChIKey of 5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is LHEFBUCMDRMVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S.ClH/c20-27(25,26)18-3-1-14(2-4-18)6-8-23-19(24)17-10-16(12-22-13-17)9-15-5-7-21-11-15;/h1-4,10,12-13,15,21H,5-9,11H2,(H,23,24)(H2,20,25,26);1H.
What are the key properties of 5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride?
5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-3-ylmethyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 171708780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).