6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide

C18H21N3O5S — CID 91815413

IUPAC6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cc1
InChIInChI=1S/C18H21N3O5S/c19-27(23,24)16-4-2-15(3-5-16)21-18(22)14-1-6-17(20-11-14)26-12-13-7-9-25-10-8-13/h1-6,11,13H,7-10,12H2,(H,21,22)(H2,19,23,24)
InChIKeyWVOKCAVRNWUEND-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.79
Rot. Bonds6

About 6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide

6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide (PubChem CID 91815413) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
PubChem CID91815413
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cc1
InChIInChI=1S/C18H21N3O5S/c19-27(23,24)16-4-2-15(3-5-16)21-18(22)14-1-6-17(20-11-14)26-12-13-7-9-25-10-8-13/h1-6,11,13H,7-10,12H2,(H,21,22)(H2,19,23,24)
InChIKeyWVOKCAVRNWUEND-UHFFFAOYSA-N
XLogP1.79
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 121017376
N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815403
N,N-dimethyl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815390
N-(furan-2-ylmethyl)-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815405
N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815404
tert-butyl N-[3-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815444
4-[(3aS,6aR)-5-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]benzenesulfonamide
CID 118394119
N-(4-chlorophenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730314
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 125179663
6-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 166213173

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide (CID 91815413) is 6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cc1.
What is the InChIKey of 6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The InChIKey is WVOKCAVRNWUEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c19-27(23,24)16-4-2-15(3-5-16)21-18(22)14-1-6-17(20-11-14)26-12-13-7-9-25-10-8-13/h1-6,11,13H,7-10,12H2,(H,21,22)(H2,19,23,24).
What are the key properties of 6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 91815413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).