pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid

C18H18N4O6S — CID 139186567

IUPACpyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid
SMILESNC(=O)c1cccnc1.NS(=O)(=O)c1ccc(C(=O)O)cc1.O=c1cccc[nH]1
InChIInChI=1S/C7H7NO4S.C6H6N2O.C5H5NO/c8-13(11,12)6-3-1-5(2-4-6)7(9)10;7-6(9)5-2-1-3-8-4-5;7-5-3-1-2-4-6-5/h1-4H,(H,9,10)(H2,8,11,12);1-4H,(H2,7,9);1-4H,(H,6,7)
InChIKeyDHKPDXNJXDBBBJ-UHFFFAOYSA-N
MW418.43 g/mol
LogP0.59
Rot. Bonds3

About pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid

pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid (PubChem CID 139186567) has the molecular formula C18H18N4O6S and a molecular weight of 418.43 g/mol. Its IUPAC name is pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid.

Molecular Properties

Compound Namepyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid
PubChem CID139186567
Molecular FormulaC18H18N4O6S
Molecular Weight418.43 g/mol
Exact Mass418.09
IUPAC Namepyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid
SMILESNC(=O)c1cccnc1.NS(=O)(=O)c1ccc(C(=O)O)cc1.O=c1cccc[nH]1
InChIInChI=1S/C7H7NO4S.C6H6N2O.C5H5NO/c8-13(11,12)6-3-1-5(2-4-6)7(9)10;7-6(9)5-2-1-3-8-4-5;7-5-3-1-2-4-6-5/h1-4H,(H,9,10)(H2,8,11,12);1-4H,(H2,7,9);1-4H,(H,6,7)
InChIKeyDHKPDXNJXDBBBJ-UHFFFAOYSA-N
XLogP0.59
TPSA186.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid?
The IUPAC name of pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid (CID 139186567) is pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid.
What is the SMILES notation for pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid?
The canonical SMILES for pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid is NC(=O)c1cccnc1.NS(=O)(=O)c1ccc(C(=O)O)cc1.O=c1cccc[nH]1.
What is the InChIKey of pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid?
The InChIKey is DHKPDXNJXDBBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S.C6H6N2O.C5H5NO/c8-13(11,12)6-3-1-5(2-4-6)7(9)10;7-6(9)5-2-1-3-8-4-5;7-5-3-1-2-4-6-5/h1-4H,(H,9,10)(H2,8,11,12);1-4H,(H2,7,9);1-4H,(H,6,7).
What are the key properties of pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid?
pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid has a molecular weight of 418.43 g/mol, XLogP of 0.59, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-carboxamide;1H-pyridin-2-one;4-sulfamoylbenzoic acid is sourced from PubChem (CID 139186567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).