8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

C21H24N4O3 — CID 131646713

IUPAC8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESO=C(Nc1cccnc1)C1CCC2(CCN(C(=O)Nc3ccccc3)CC2)O1
InChIInChI=1S/C21H24N4O3/c26-19(23-17-7-4-12-22-15-17)18-8-9-21(28-18)10-13-25(14-11-21)20(27)24-16-5-2-1-3-6-16/h1-7,12,15,18H,8-11,13-14H2,(H,23,26)(H,24,27)
InChIKeySWZQCASCNSGUKH-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.27
Rot. Bonds3

About 8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (PubChem CID 131646713) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.

Molecular Properties

Compound Name8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
PubChem CID131646713
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESO=C(Nc1cccnc1)C1CCC2(CCN(C(=O)Nc3ccccc3)CC2)O1
InChIInChI=1S/C21H24N4O3/c26-19(23-17-7-4-12-22-15-17)18-8-9-21(28-18)10-13-25(14-11-21)20(27)24-16-5-2-1-3-6-16/h1-7,12,15,18H,8-11,13-14H2,(H,23,26)(H,24,27)
InChIKeySWZQCASCNSGUKH-UHFFFAOYSA-N
XLogP3.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076517
8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076520
8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 131655904
N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076522
8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155846938
8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076821
(2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 124913655
(2S,3S)-5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492534
5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646111
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467

Frequently Asked Questions

What is the IUPAC name of 8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The IUPAC name of 8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (CID 131646713) is 8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.
What is the SMILES notation for 8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The canonical SMILES for 8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is O=C(Nc1cccnc1)C1CCC2(CCN(C(=O)Nc3ccccc3)CC2)O1.
What is the InChIKey of 8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The InChIKey is SWZQCASCNSGUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-19(23-17-7-4-12-22-15-17)18-8-9-21(28-18)10-13-25(14-11-21)20(27)24-16-5-2-1-3-6-16/h1-7,12,15,18H,8-11,13-14H2,(H,23,26)(H,24,27).
What are the key properties of 8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is sourced from PubChem (CID 131646713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).