N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide

C16H17N3O5S — CID 2529031

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H17N3O5S/c20-15-6-1-12(11-17-15)16(21)18-13-2-4-14(5-3-13)25(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10H2,(H,17,20)(H,18,21)
InChIKeyZMWCKSGVBHVEIL-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.65
Rot. Bonds4

About N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 2529031) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID2529031
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H17N3O5S/c20-15-6-1-12(11-17-15)16(21)18-13-2-4-14(5-3-13)25(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10H2,(H,17,20)(H,18,21)
InChIKeyZMWCKSGVBHVEIL-UHFFFAOYSA-N
XLogP0.65
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 2529031) is N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZMWCKSGVBHVEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c20-15-6-1-12(11-17-15)16(21)18-13-2-4-14(5-3-13)25(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10H2,(H,17,20)(H,18,21).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2529031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).