5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid

C20H33N5O4S — CID 53004803

IUPAC5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)S(=O)(=O)Nc1cnc(N2CCC(CCN3CCCCC3)CC2)c(C(=O)O)c1
InChIInChI=1S/C20H33N5O4S/c1-23(2)30(28,29)22-17-14-18(20(26)27)19(21-15-17)25-12-7-16(8-13-25)6-11-24-9-4-3-5-10-24/h14-16,22H,3-13H2,1-2H3,(H,26,27)
InChIKeySZPQMPRJYOMMSG-UHFFFAOYSA-N
MW439.58 g/mol
LogP2.09
Rot. Bonds8

About 5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid

5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 53004803) has the molecular formula C20H33N5O4S and a molecular weight of 439.58 g/mol. Its IUPAC name is 5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID53004803
Molecular FormulaC20H33N5O4S
Molecular Weight439.58 g/mol
Exact Mass439.23
IUPAC Name5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)S(=O)(=O)Nc1cnc(N2CCC(CCN3CCCCC3)CC2)c(C(=O)O)c1
InChIInChI=1S/C20H33N5O4S/c1-23(2)30(28,29)22-17-14-18(20(26)27)19(21-15-17)25-12-7-16(8-13-25)6-11-24-9-4-3-5-10-24/h14-16,22H,3-13H2,1-2H3,(H,26,27)
InChIKeySZPQMPRJYOMMSG-UHFFFAOYSA-N
XLogP2.09
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 53004803) is 5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid is CN(C)S(=O)(=O)Nc1cnc(N2CCC(CCN3CCCCC3)CC2)c(C(=O)O)c1.
What is the InChIKey of 5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is SZPQMPRJYOMMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O4S/c1-23(2)30(28,29)22-17-14-18(20(26)27)19(21-15-17)25-12-7-16(8-13-25)6-11-24-9-4-3-5-10-24/h14-16,22H,3-13H2,1-2H3,(H,26,27).
What are the key properties of 5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 439.58 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoylamino)-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53004803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).