6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide

C19H24N4O5S — CID 70725148

IUPAC6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(CN3CCC[C@@H]3CO)[nH]c2=O)cc1
InChIInChI=1S/C19H24N4O5S/c20-29(27,28)16-6-3-13(4-7-16)10-21-18(25)17-8-5-14(22-19(17)26)11-23-9-1-2-15(23)12-24/h3-8,15,24H,1-2,9-12H2,(H,21,25)(H,22,26)(H2,20,27,28)/t15-/m1/s1
InChIKeySAOZVIKZITWOOK-OAHLLOKOSA-N
MW420.49 g/mol
LogP-0.09
Rot. Bonds7

About 6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide

6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 70725148) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide
PubChem CID70725148
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(CN3CCC[C@@H]3CO)[nH]c2=O)cc1
InChIInChI=1S/C19H24N4O5S/c20-29(27,28)16-6-3-13(4-7-16)10-21-18(25)17-8-5-14(22-19(17)26)11-23-9-1-2-15(23)12-24/h3-8,15,24H,1-2,9-12H2,(H,21,25)(H,22,26)(H2,20,27,28)/t15-/m1/s1
InChIKeySAOZVIKZITWOOK-OAHLLOKOSA-N
XLogP-0.09
TPSA145.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42369168
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide
CID 75501739
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 42889160
2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 17248737
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512355
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 110921460
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride
CID 171709257
2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 17248914
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide (CID 70725148) is 6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(CN3CCC[C@@H]3CO)[nH]c2=O)cc1.
What is the InChIKey of 6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is SAOZVIKZITWOOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O5S/c20-29(27,28)16-6-3-13(4-7-16)10-21-18(25)17-8-5-14(22-19(17)26)11-23-9-1-2-15(23)12-24/h3-8,15,24H,1-2,9-12H2,(H,21,25)(H,22,26)(H2,20,27,28)/t15-/m1/s1.
What are the key properties of 6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide?
6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of -0.09, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70725148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).