6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

C26H27N3O3 — CID 45209178

IUPAC6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCc1ccccn1)C1CC12CCN(C(=O)c1cccc(-c3ccco3)c1)CC2
InChIInChI=1S/C26H27N3O3/c30-24(28-13-9-21-7-1-2-12-27-21)22-18-26(22)10-14-29(15-11-26)25(31)20-6-3-5-19(17-20)23-8-4-16-32-23/h1-8,12,16-17,22H,9-11,13-15,18H2,(H,28,30)
InChIKeyNZTJYBRSLAMKRI-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.94
Rot. Bonds6

About 6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45209178) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45209178
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCc1ccccn1)C1CC12CCN(C(=O)c1cccc(-c3ccco3)c1)CC2
InChIInChI=1S/C26H27N3O3/c30-24(28-13-9-21-7-1-2-12-27-21)22-18-26(22)10-14-29(15-11-26)25(31)20-6-3-5-19(17-20)23-8-4-16-32-23/h1-8,12,16-17,22H,9-11,13-15,18H2,(H,28,30)
InChIKeyNZTJYBRSLAMKRI-UHFFFAOYSA-N
XLogP3.94
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

(2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125158207
6-(2-chlorobenzoyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45165512
(2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42485071
(2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42484153
6-[3-(3-fluorophenyl)prop-2-enoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 171134516
(2S)-6-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42471005
(2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26353127
6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465422
6-[[4-(dimethylamino)phenyl]methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463050
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
6-(3-prop-2-enoxybenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45182350
(2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42166274

Frequently Asked Questions

What is the IUPAC name of 6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45209178) is 6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCc1ccccn1)C1CC12CCN(C(=O)c1cccc(-c3ccco3)c1)CC2.
What is the InChIKey of 6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is NZTJYBRSLAMKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c30-24(28-13-9-21-7-1-2-12-27-21)22-18-26(22)10-14-29(15-11-26)25(31)20-6-3-5-19(17-20)23-8-4-16-32-23/h1-8,12,16-17,22H,9-11,13-15,18H2,(H,28,30).
What are the key properties of 6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45209178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).