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

C18H21N3O4S — CID 122053220

IUPAC6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCc2ccccc2S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C18H21N3O4S/c22-18(23)15-8-6-10-17(20-15)19-13-14-7-2-3-9-16(14)26(24,25)21-11-4-1-5-12-21/h2-3,6-10H,1,4-5,11-13H2,(H,19,20)(H,22,23)
InChIKeyNLXKMDHFBWDBJM-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.57
Rot. Bonds6

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

6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 122053220) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID122053220
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCc2ccccc2S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C18H21N3O4S/c22-18(23)15-8-6-10-17(20-15)19-13-14-7-2-3-9-16(14)26(24,25)21-11-4-1-5-12-21/h2-3,6-10H,1,4-5,11-13H2,(H,19,20)(H,22,23)
InChIKeyNLXKMDHFBWDBJM-UHFFFAOYSA-N
XLogP2.57
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133481721
6-(naphthalen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 62369628
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carboxylic acid
CID 62879966
6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyridine-2-carboxylic acid
CID 122054456
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine
CID 75414784
1-benzyl-2-methyl-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110952470
1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 51321501
4-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methylamino]pyridine-2-carboxylic acid
CID 167944110
1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 24611705
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119700344
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
CID 119109932
2-amino-2-(oxan-4-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 120785303

Frequently Asked Questions

What is the IUPAC name of 6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid (CID 122053220) is 6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCc2ccccc2S(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of 6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is NLXKMDHFBWDBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-18(23)15-8-6-10-17(20-15)19-13-14-7-2-3-9-16(14)26(24,25)21-11-4-1-5-12-21/h2-3,6-10H,1,4-5,11-13H2,(H,19,20)(H,22,23).
What are the key properties of 6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid?
6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 375.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).