N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

C16H17N3O3S — CID 2316496

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccnc1
InChIInChI=1S/C16H17N3O3S/c20-16(13-4-3-9-17-12-13)18-14-5-7-15(8-6-14)23(21,22)19-10-1-2-11-19/h3-9,12H,1-2,10-11H2,(H,18,20)
InChIKeyOXACOIAUKIDTDF-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.12
Rot. Bonds4

About N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 2316496) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID2316496
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccnc1
InChIInChI=1S/C16H17N3O3S/c20-16(13-4-3-9-17-12-13)18-14-5-7-15(8-6-14)23(21,22)19-10-1-2-11-19/h3-9,12H,1-2,10-11H2,(H,18,20)
InChIKeyOXACOIAUKIDTDF-UHFFFAOYSA-N
XLogP2.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 2316496) is N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccnc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is OXACOIAUKIDTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16(13-4-3-9-17-12-13)18-14-5-7-15(8-6-14)23(21,22)19-10-1-2-11-19/h3-9,12H,1-2,10-11H2,(H,18,20).
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2316496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).