N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide

C17H19N3O5S — CID 4852404

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C17H19N3O5S/c1-24-16-3-2-14(26(22,23)20-8-10-25-11-9-20)12-15(16)19-17(21)13-4-6-18-7-5-13/h2-7,12H,8-11H2,1H3,(H,19,21)
InChIKeyPLOGLXRBNKMIDA-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.36
Rot. Bonds5

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide (PubChem CID 4852404) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
PubChem CID4852404
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C17H19N3O5S/c1-24-16-3-2-14(26(22,23)20-8-10-25-11-9-20)12-15(16)19-17(21)13-4-6-18-7-5-13/h2-7,12H,8-11H2,1H3,(H,19,21)
InChIKeyPLOGLXRBNKMIDA-UHFFFAOYSA-N
XLogP1.36
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide (CID 4852404) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccncc1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide?
The InChIKey is PLOGLXRBNKMIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-24-16-3-2-14(26(22,23)20-8-10-25-11-9-20)12-15(16)19-17(21)13-4-6-18-7-5-13/h2-7,12H,8-11H2,1H3,(H,19,21).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 4852404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).