N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide

C17H19N3O3S — CID 3956211

IUPACN-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccn1
InChIInChI=1S/C17H19N3O3S/c21-17(16-9-2-3-10-18-16)19-14-7-6-8-15(13-14)24(22,23)20-11-4-1-5-12-20/h2-3,6-10,13H,1,4-5,11-12H2,(H,19,21)
InChIKeyGZFLVCSUERXUSE-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.51
Rot. Bonds4

About N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide

N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide (PubChem CID 3956211) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
PubChem CID3956211
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccn1
InChIInChI=1S/C17H19N3O3S/c21-17(16-9-2-3-10-18-16)19-14-7-6-8-15(13-14)24(22,23)20-11-4-1-5-12-20/h2-3,6-10,13H,1,4-5,11-12H2,(H,19,21)
InChIKeyGZFLVCSUERXUSE-UHFFFAOYSA-N
XLogP2.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide (CID 3956211) is N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccn1.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide?
The InChIKey is GZFLVCSUERXUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17(16-9-2-3-10-18-16)19-14-7-6-8-15(13-14)24(22,23)20-11-4-1-5-12-20/h2-3,6-10,13H,1,4-5,11-12H2,(H,19,21).
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide?
N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 3956211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).