N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

C25H33N3O4 — CID 118757221

IUPACN-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cccc(CNC(=O)C2CC23CCN(C(=O)C2CC(=O)OC24CCCCC4)CC3)n1
InChIInChI=1S/C25H33N3O4/c1-17-6-5-7-18(27-17)16-26-22(30)20-15-24(20)10-12-28(13-11-24)23(31)19-14-21(29)32-25(19)8-3-2-4-9-25/h5-7,19-20H,2-4,8-16H2,1H3,(H,26,30)
InChIKeyMDOZHIMOVUIPBW-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.90
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 118757221) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID118757221
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cccc(CNC(=O)C2CC23CCN(C(=O)C2CC(=O)OC24CCCCC4)CC3)n1
InChIInChI=1S/C25H33N3O4/c1-17-6-5-7-18(27-17)16-26-22(30)20-15-24(20)10-12-28(13-11-24)23(31)19-14-21(29)32-25(19)8-3-2-4-9-25/h5-7,19-20H,2-4,8-16H2,1H3,(H,26,30)
InChIKeyMDOZHIMOVUIPBW-UHFFFAOYSA-N
XLogP2.90
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 118757221) is N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1cccc(CNC(=O)C2CC23CCN(C(=O)C2CC(=O)OC24CCCCC4)CC3)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is MDOZHIMOVUIPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-17-6-5-7-18(27-17)16-26-22(30)20-15-24(20)10-12-28(13-11-24)23(31)19-14-21(29)32-25(19)8-3-2-4-9-25/h5-7,19-20H,2-4,8-16H2,1H3,(H,26,30).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-6-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 118757221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).