1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

C25H25N3O2 — CID 131658736

IUPAC1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCc1ccc(NC(=O)C2CC3(CO2)CN(Cc2ccccc2)c2ccccc23)nc1
InChIInChI=1S/C25H25N3O2/c1-18-11-12-23(26-14-18)27-24(29)22-13-25(17-30-22)16-28(15-19-7-3-2-4-8-19)21-10-6-5-9-20(21)25/h2-12,14,22H,13,15-17H2,1H3,(H,26,27,29)
InChIKeyWUAVNSYIZCOIHU-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.08
Rot. Bonds4

About 1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (PubChem CID 131658736) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
PubChem CID131658736
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCc1ccc(NC(=O)C2CC3(CO2)CN(Cc2ccccc2)c2ccccc23)nc1
InChIInChI=1S/C25H25N3O2/c1-18-11-12-23(26-14-18)27-24(29)22-13-25(17-30-22)16-28(15-19-7-3-2-4-8-19)21-10-6-5-9-20(21)25/h2-12,14,22H,13,15-17H2,1H3,(H,26,27,29)
InChIKeyWUAVNSYIZCOIHU-UHFFFAOYSA-N
XLogP4.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of 1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (CID 131658736) is 1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is Cc1ccc(NC(=O)C2CC3(CO2)CN(Cc2ccccc2)c2ccccc23)nc1.
What is the InChIKey of 1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is WUAVNSYIZCOIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-11-12-23(26-14-18)27-24(29)22-13-25(17-30-22)16-28(15-19-7-3-2-4-8-19)21-10-6-5-9-20(21)25/h2-12,14,22H,13,15-17H2,1H3,(H,26,27,29).
What are the key properties of 1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 131658736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).