6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C24H25N3O3 — CID 45241253

IUPAC6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cccc(CNC(=O)C2CC23CCN(C(=O)c2cc4ccccc4o2)CC3)n1
InChIInChI=1S/C24H25N3O3/c1-16-5-4-7-18(26-16)15-25-22(28)19-14-24(19)9-11-27(12-10-24)23(29)21-13-17-6-2-3-8-20(17)30-21/h2-8,13,19H,9-12,14-15H2,1H3,(H,25,28)
InChIKeyYJLPXCFEGWOAGB-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.69
Rot. Bonds4

About 6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45241253) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45241253
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cccc(CNC(=O)C2CC23CCN(C(=O)c2cc4ccccc4o2)CC3)n1
InChIInChI=1S/C24H25N3O3/c1-16-5-4-7-18(26-16)15-25-22(28)19-14-24(19)9-11-27(12-10-24)23(29)21-13-17-6-2-3-8-20(17)30-21/h2-8,13,19H,9-12,14-15H2,1H3,(H,25,28)
InChIKeyYJLPXCFEGWOAGB-UHFFFAOYSA-N
XLogP3.69
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45241253) is 6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1cccc(CNC(=O)C2CC23CCN(C(=O)c2cc4ccccc4o2)CC3)n1.
What is the InChIKey of 6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is YJLPXCFEGWOAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-5-4-7-18(26-16)15-25-22(28)19-14-24(19)9-11-27(12-10-24)23(29)21-13-17-6-2-3-8-20(17)30-21/h2-8,13,19H,9-12,14-15H2,1H3,(H,25,28).
What are the key properties of 6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45241253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).