2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide

C13H14N4O3S — CID 126674978

IUPAC2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2cnc(N)c(C(N)=O)c2)cc1
InChIInChI=1S/C13H14N4O3S/c1-21(19,20)17-10-4-2-8(3-5-10)9-6-11(13(15)18)12(14)16-7-9/h2-7,17H,1H3,(H2,14,16)(H2,15,18)
InChIKeyKFCXORLFHYGPEX-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.80
Rot. Bonds4

About 2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide

2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide (PubChem CID 126674978) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide
PubChem CID126674978
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2cnc(N)c(C(N)=O)c2)cc1
InChIInChI=1S/C13H14N4O3S/c1-21(19,20)17-10-4-2-8(3-5-10)9-6-11(13(15)18)12(14)16-7-9/h2-7,17H,1H3,(H2,14,16)(H2,15,18)
InChIKeyKFCXORLFHYGPEX-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide
CID 71038038
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide
CID 146685867
4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide
CID 53311138
N-(4-acetamidophenyl)-5-(4-acetylphenyl)-2-aminopyridine-3-carboxamide
CID 164524580
2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide
CID 126675400
N-[4-[6-amino-5-[1-(2-chloro-3,6-difluorophenyl)ethoxy]-3-pyridinyl]phenyl]methanesulfonamide
CID 21111006
N-[3-[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]phenyl]acetamide
CID 155560591
4-[4-(methanesulfonamido)phenyl]benzenesulfonic acid
CID 90200210
2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 146427017
N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]methanesulfonamide
CID 70285052
N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide
CID 39814969

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide (CID 126674978) is 2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide is CS(=O)(=O)Nc1ccc(-c2cnc(N)c(C(N)=O)c2)cc1.
What is the InChIKey of 2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide?
The InChIKey is KFCXORLFHYGPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-21(19,20)17-10-4-2-8(3-5-10)9-6-11(13(15)18)12(14)16-7-9/h2-7,17H,1H3,(H2,14,16)(H2,15,18).
What are the key properties of 2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide?
2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 126674978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).