N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide

C13H11N3O3S — CID 18171869

IUPACN-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide
SMILESCc1ccc(N(N=S(=O)=O)C(=O)c2cccnc2)cc1
InChIInChI=1S/C13H11N3O3S/c1-10-4-6-12(7-5-10)16(15-20(18)19)13(17)11-3-2-8-14-9-11/h2-9H,1H3
InChIKeyWIEOOXWYVQNAOG-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.01
Rot. Bonds3

About N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide

N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide (PubChem CID 18171869) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide
PubChem CID18171869
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide
SMILESCc1ccc(N(N=S(=O)=O)C(=O)c2cccnc2)cc1
InChIInChI=1S/C13H11N3O3S/c1-10-4-6-12(7-5-10)16(15-20(18)19)13(17)11-3-2-8-14-9-11/h2-9H,1H3
InChIKeyWIEOOXWYVQNAOG-UHFFFAOYSA-N
XLogP2.01
TPSA79.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 28768964
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
(111C)methyl pyridine-3-carboxylate
CID 11309537
N-(2-cyanoethyl)-N-[(E)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 134113032
N-methyl-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 61129416

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide (CID 18171869) is N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide is Cc1ccc(N(N=S(=O)=O)C(=O)c2cccnc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide?
The InChIKey is WIEOOXWYVQNAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-10-4-6-12(7-5-10)16(15-20(18)19)13(17)11-3-2-8-14-9-11/h2-9H,1H3.
What are the key properties of N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide?
N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(sulfonylamino)pyridine-3-carboxamide is sourced from PubChem (CID 18171869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).