6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid

C18H19N3O5S — CID 119179197

IUPAC6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1
InChIInChI=1S/C18H19N3O5S/c22-17(15-8-5-9-16(20-15)18(23)24)19-13-6-4-7-14(12-13)27(25,26)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,22)(H,23,24)
InChIKeyABENDTUBUPQFLX-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.21
Rot. Bonds5

About 6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid

6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119179197) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119179197
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1
InChIInChI=1S/C18H19N3O5S/c22-17(15-8-5-9-16(20-15)18(23)24)19-13-6-4-7-14(12-13)27(25,26)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,22)(H,23,24)
InChIKeyABENDTUBUPQFLX-UHFFFAOYSA-N
XLogP2.21
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 60581974
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 42991910
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
5-cyclopropyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 31810077
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-methyl-6-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27006276
N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dinitrobenzamide
CID 13098766
N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide
CID 30275091

Frequently Asked Questions

What is the IUPAC name of 6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 119179197) is 6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1.
What is the InChIKey of 6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is ABENDTUBUPQFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-17(15-8-5-9-16(20-15)18(23)24)19-13-6-4-7-14(12-13)27(25,26)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,22)(H,23,24).
What are the key properties of 6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 389.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119179197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).