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

C20H24N6O — CID 146408512

IUPACN-[5-[2-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#CCN1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1
InChIInChI=1S/C20H24N6O/c21-10-11-25-12-20(13-25)8-6-14(7-9-20)16-2-1-3-17-22-19(24-26(16)17)23-18(27)15-4-5-15/h1-3,14-15H,4-9,11-13H2,(H,23,24,27)
InChIKeyQWNOKYCJESLRKP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.56
Rot. Bonds4

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

N-[5-[2-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 146408512) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[5-[2-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID146408512
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[5-[2-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#CCN1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1
InChIInChI=1S/C20H24N6O/c21-10-11-25-12-20(13-25)8-6-14(7-9-20)16-2-1-3-17-22-19(24-26(16)17)23-18(27)15-4-5-15/h1-3,14-15H,4-9,11-13H2,(H,23,24,27)
InChIKeyQWNOKYCJESLRKP-UHFFFAOYSA-N
XLogP2.56
TPSA86.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyanomethyl)-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-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 146408512) is N-[5-[2-(cyanomethyl)-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-(cyanomethyl)-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-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#CCN1CC2(CCC(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)C1.
What is the InChIKey of N-[5-[2-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is QWNOKYCJESLRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c21-10-11-25-12-20(13-25)8-6-14(7-9-20)16-2-1-3-17-22-19(24-26(16)17)23-18(27)15-4-5-15/h1-3,14-15H,4-9,11-13H2,(H,23,24,27).
What are the key properties of N-[5-[2-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146408512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).