2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C22H23F2N3O3 — CID 91924934

IUPAC2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1ccncc1)C1CN(C(=O)c2ccc(F)cc2F)CC12CCOCC2
InChIInChI=1S/C22H23F2N3O3/c23-16-1-2-17(19(24)11-16)21(29)27-13-18(22(14-27)5-9-30-10-6-22)20(28)26-12-15-3-7-25-8-4-15/h1-4,7-8,11,18H,5-6,9-10,12-14H2,(H,26,28)
InChIKeySSZBIEVCXVVFSQ-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.55
Rot. Bonds4

About 2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924934) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is 2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924934
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1ccncc1)C1CN(C(=O)c2ccc(F)cc2F)CC12CCOCC2
InChIInChI=1S/C22H23F2N3O3/c23-16-1-2-17(19(24)11-16)21(29)27-13-18(22(14-27)5-9-30-10-6-22)20(28)26-12-15-3-7-25-8-4-15/h1-4,7-8,11,18H,5-6,9-10,12-14H2,(H,26,28)
InChIKeySSZBIEVCXVVFSQ-UHFFFAOYSA-N
XLogP2.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912734
2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924968
N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579518
2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924936
6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579532
2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924927
2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924949
2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924948
N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077997
(2R,3R)-5-(2-methylbenzoyl)-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493190
6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463249
5-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131638456

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924934) is 2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1ccncc1)C1CN(C(=O)c2ccc(F)cc2F)CC12CCOCC2.
What is the InChIKey of 2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is SSZBIEVCXVVFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c23-16-1-2-17(19(24)11-16)21(29)27-13-18(22(14-27)5-9-30-10-6-22)20(28)26-12-15-3-7-25-8-4-15/h1-4,7-8,11,18H,5-6,9-10,12-14H2,(H,26,28).
What are the key properties of 2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).