1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide

C21H23N5O3S — CID 46699660

IUPAC1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2)nc1
InChIInChI=1S/C21H23N5O3S/c22-13-15-4-7-20(23-14-15)26-10-8-16(9-11-26)21(27)24-18-2-1-3-19(12-18)30(28,29)25-17-5-6-17/h1-4,7,12,14,16-17,25H,5-6,8-11H2,(H,24,27)
InChIKeyZYHXUBBTARWLEK-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.25
Rot. Bonds6

About 1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 46699660) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID46699660
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2)nc1
InChIInChI=1S/C21H23N5O3S/c22-13-15-4-7-20(23-14-15)26-10-8-16(9-11-26)21(27)24-18-2-1-3-19(12-18)30(28,29)25-17-5-6-17/h1-4,7,12,14,16-17,25H,5-6,8-11H2,(H,24,27)
InChIKeyZYHXUBBTARWLEK-UHFFFAOYSA-N
XLogP2.25
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 46699660) is 1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)CC2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is ZYHXUBBTARWLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c22-13-15-4-7-20(23-14-15)26-10-8-16(9-11-26)21(27)24-18-2-1-3-19(12-18)30(28,29)25-17-5-6-17/h1-4,7,12,14,16-17,25H,5-6,8-11H2,(H,24,27).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 46699660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).