6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C22H31N3O — CID 126467319

IUPAC6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cccc(CNC(=O)C2CC23CCN(CC2CC=CCC2)CC3)n1
InChIInChI=1S/C22H31N3O/c1-17-6-5-9-19(24-17)15-23-21(26)20-14-22(20)10-12-25(13-11-22)16-18-7-3-2-4-8-18/h2-3,5-6,9,18,20H,4,7-8,10-16H2,1H3,(H,23,26)
InChIKeyHPGSSCWENIHRBG-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.46
Rot. Bonds5

About 6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126467319) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126467319
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cccc(CNC(=O)C2CC23CCN(CC2CC=CCC2)CC3)n1
InChIInChI=1S/C22H31N3O/c1-17-6-5-9-19(24-17)15-23-21(26)20-14-22(20)10-12-25(13-11-22)16-18-7-3-2-4-8-18/h2-3,5-6,9,18,20H,4,7-8,10-16H2,1H3,(H,23,26)
InChIKeyHPGSSCWENIHRBG-UHFFFAOYSA-N
XLogP3.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 126467319) is 6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1cccc(CNC(=O)C2CC23CCN(CC2CC=CCC2)CC3)n1.
What is the InChIKey of 6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is HPGSSCWENIHRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-17-6-5-9-19(24-17)15-23-21(26)20-14-22(20)10-12-25(13-11-22)16-18-7-3-2-4-8-18/h2-3,5-6,9,18,20H,4,7-8,10-16H2,1H3,(H,23,26).
What are the key properties of 6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126467319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).