2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide

C22H26N4O3S — CID 155781176

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccnc1N1CCC2(CC1)CC2
InChIInChI=1S/C22H26N4O3S/c27-21(24-17-3-1-4-18(15-17)30(28,29)25-16-6-7-16)19-5-2-12-23-20(19)26-13-10-22(8-9-22)11-14-26/h1-5,12,15-16,25H,6-11,13-14H2,(H,24,27)
InChIKeyWDPWLNLNVCGFPF-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.15
Rot. Bonds6

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 155781176) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide
PubChem CID155781176
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccnc1N1CCC2(CC1)CC2
InChIInChI=1S/C22H26N4O3S/c27-21(24-17-3-1-4-18(15-17)30(28,29)25-16-6-7-16)19-5-2-12-23-20(19)26-13-10-22(8-9-22)11-14-26/h1-5,12,15-16,25H,6-11,13-14H2,(H,24,27)
InChIKeyWDPWLNLNVCGFPF-UHFFFAOYSA-N
XLogP3.15
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide (CID 155781176) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccnc1N1CCC2(CC1)CC2.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is WDPWLNLNVCGFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c27-21(24-17-3-1-4-18(15-17)30(28,29)25-16-6-7-16)19-5-2-12-23-20(19)26-13-10-22(8-9-22)11-14-26/h1-5,12,15-16,25H,6-11,13-14H2,(H,24,27).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155781176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).