N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide

C21H23N5O — CID 167751309

IUPACN-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc2nncn12
InChIInChI=1S/C21H23N5O/c27-20(18-7-4-8-19-24-22-15-26(18)19)23-17-9-12-25(21(13-17)10-11-21)14-16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,23,27)
InChIKeyRSNQHCUTZVEYCX-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.66
Rot. Bonds4

About N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide

N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide (PubChem CID 167751309) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
PubChem CID167751309
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc2nncn12
InChIInChI=1S/C21H23N5O/c27-20(18-7-4-8-19-24-22-15-26(18)19)23-17-9-12-25(21(13-17)10-11-21)14-16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,23,27)
InChIKeyRSNQHCUTZVEYCX-UHFFFAOYSA-N
XLogP2.66
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide with MolForge

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Related Compounds

N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide
CID 166334917
2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid
CID 166288939
N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402185
N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519242
N-(1-benzylpyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51110849
N-(1-benzylpiperidin-4-yl)-2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetamide
CID 166050672
(2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide
CID 166418385
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
N-(1-benzylpiperidin-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51254704
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
2-(1-benzyl-2,2-diphenylpyrrolidin-3-yl)acetamide
CID 57119129

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
The IUPAC name of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide (CID 167751309) is N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
The canonical SMILES for N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide is O=C(NC1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc2nncn12.
What is the InChIKey of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
The InChIKey is RSNQHCUTZVEYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-20(18-7-4-8-19-24-22-15-26(18)19)23-17-9-12-25(21(13-17)10-11-21)14-16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,23,27).
What are the key properties of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide is sourced from PubChem (CID 167751309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).