6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid

C15H19N5O4S — CID 122053952

IUPAC6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCC(Nc3cccc(C(=O)O)n3)CC2)cn1
InChIInChI=1S/C15H19N5O4S/c1-19-10-12(9-16-19)25(23,24)20-7-5-11(6-8-20)17-14-4-2-3-13(18-14)15(21)22/h2-4,9-11H,5-8H2,1H3,(H,17,18)(H,21,22)
InChIKeySDGCTABTSUSXMO-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.78
Rot. Bonds5

About 6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid

6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122053952) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is 6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
PubChem CID122053952
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCC(Nc3cccc(C(=O)O)n3)CC2)cn1
InChIInChI=1S/C15H19N5O4S/c1-19-10-12(9-16-19)25(23,24)20-7-5-11(6-8-20)17-14-4-2-3-13(18-14)15(21)22/h2-4,9-11H,5-8H2,1H3,(H,17,18)(H,21,22)
InChIKeySDGCTABTSUSXMO-UHFFFAOYSA-N
XLogP0.78
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122052821
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid
CID 122055512
2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride
CID 119945720
6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 122048859
5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide
CID 120635627
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 120668801
5-bromo-4-methoxy-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
CID 166233184
(2R)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 97215975
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 75373223
2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133403059
N-(4-methyl-2-nitrophenyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine
CID 133340791

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid (CID 122053952) is 6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid is Cn1cc(S(=O)(=O)N2CCC(Nc3cccc(C(=O)O)n3)CC2)cn1.
What is the InChIKey of 6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is SDGCTABTSUSXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-19-10-12(9-16-19)25(23,24)20-7-5-11(6-8-20)17-14-4-2-3-13(18-14)15(21)22/h2-4,9-11H,5-8H2,1H3,(H,17,18)(H,21,22).
What are the key properties of 6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid?
6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 365.42 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).