5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide

C13H14N4O3S — CID 81310942

IUPAC5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C13H14N4O3S/c14-10-3-6-12(16-8-10)13(18)17-7-9-1-4-11(5-2-9)21(15,19)20/h1-6,8H,7,14H2,(H,17,18)(H2,15,19,20)
InChIKeyGWXREOLZJPASGH-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.24
Rot. Bonds4

About 5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide

5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 81310942) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
PubChem CID81310942
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C13H14N4O3S/c14-10-3-6-12(16-8-10)13(18)17-7-9-1-4-11(5-2-9)21(15,19)20/h1-6,8H,7,14H2,(H,17,18)(H2,15,19,20)
InChIKeyGWXREOLZJPASGH-UHFFFAOYSA-N
XLogP0.24
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
CID 112521897
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 43642870
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
5-amino-N-prop-2-ynylpyridine-2-carboxamide
CID 81316148
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 66335292
5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 146074874
2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4557317

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide (CID 81310942) is 5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide is Nc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nc1.
What is the InChIKey of 5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is GWXREOLZJPASGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c14-10-3-6-12(16-8-10)13(18)17-7-9-1-4-11(5-2-9)21(15,19)20/h1-6,8H,7,14H2,(H,17,18)(H2,15,19,20).
What are the key properties of 5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide?
5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 81310942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).