N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H26N6O — CID 146408518

IUPACN-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#CCCN1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1
InChIInChI=1S/C21H26N6O/c22-11-2-12-26-13-21(14-26)9-7-15(8-10-21)17-3-1-4-18-23-20(25-27(17)18)24-19(28)16-5-6-16/h1,3-4,15-16H,2,5-10,12-14H2,(H,24,25,28)
InChIKeyDPYLAAWAFUMTKJ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.95
Rot. Bonds5

About N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 146408518) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID146408518
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#CCCN1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1
InChIInChI=1S/C21H26N6O/c22-11-2-12-26-13-21(14-26)9-7-15(8-10-21)17-3-1-4-18-23-20(25-27(17)18)24-19(28)16-5-6-16/h1,3-4,15-16H,2,5-10,12-14H2,(H,24,25,28)
InChIKeyDPYLAAWAFUMTKJ-UHFFFAOYSA-N
XLogP2.95
TPSA86.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 146408518) is N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#CCCN1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1.
What is the InChIKey of N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is DPYLAAWAFUMTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c22-11-2-12-26-13-21(14-26)9-7-15(8-10-21)17-3-1-4-18-23-20(25-27(17)18)24-19(28)16-5-6-16/h1,3-4,15-16H,2,5-10,12-14H2,(H,24,25,28).
What are the key properties of N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146408518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).