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

C16H17N3O3S — CID 2963518

IUPACN-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccncc1
InChIInChI=1S/C16H17N3O3S/c20-16(13-6-8-17-9-7-13)18-14-4-3-5-15(12-14)23(21,22)19-10-1-2-11-19/h3-9,12H,1-2,10-11H2,(H,18,20)
InChIKeyBPAGNNPVWBZCKT-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.12
Rot. Bonds4

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

N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide (PubChem CID 2963518) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
PubChem CID2963518
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccncc1
InChIInChI=1S/C16H17N3O3S/c20-16(13-6-8-17-9-7-13)18-14-4-3-5-15(12-14)23(21,22)19-10-1-2-11-19/h3-9,12H,1-2,10-11H2,(H,18,20)
InChIKeyBPAGNNPVWBZCKT-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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Related Compounds

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Sulfonamide deriv., 7h
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Piperazine moiety, 6
CID 57339813
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
4-pyridyl-N-[2-(4-sulfamoylphenyl)ethyl]carboxamide
CID 2108328
2-(methylsulfanyl)-N-[3-(pyrrolidine-1-sulfonyl)phenyl]pyridine-3-carboxamide
CID 3672825
N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 3956211
N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-carboxamide
CID 4879012

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide (CID 2963518) is N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccncc1.
What is the InChIKey of N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide?
The InChIKey is BPAGNNPVWBZCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16(13-6-8-17-9-7-13)18-14-4-3-5-15(12-14)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-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide?
N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-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-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 2963518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).