8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C22H25N3O3 — CID 134076520

IUPAC8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCc1ccccc1C(=O)N1CCC2(CCC(C(=O)Nc3cccnc3)O2)CC1
InChIInChI=1S/C22H25N3O3/c1-16-5-2-3-7-18(16)21(27)25-13-10-22(11-14-25)9-8-19(28-22)20(26)24-17-6-4-12-23-15-17/h2-7,12,15,19H,8-11,13-14H2,1H3,(H,24,26)
InChIKeyMXIWYKFMVNONEF-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.18
Rot. Bonds3

About 8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 134076520) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID134076520
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCc1ccccc1C(=O)N1CCC2(CCC(C(=O)Nc3cccnc3)O2)CC1
InChIInChI=1S/C22H25N3O3/c1-16-5-2-3-7-18(16)21(27)25-13-10-22(11-14-25)9-8-19(28-22)20(26)24-17-6-4-12-23-15-17/h2-7,12,15,19H,8-11,13-14H2,1H3,(H,24,26)
InChIKeyMXIWYKFMVNONEF-UHFFFAOYSA-N
XLogP3.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 131646713
8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076517
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
CID 131655904
(2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 124522468
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
6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076540
(2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 124913655
(2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 124913520
8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076821
(2S,3S)-5-(2-methylbenzoyl)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492673
1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134076605

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 134076520) is 8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is Cc1ccccc1C(=O)N1CCC2(CCC(C(=O)Nc3cccnc3)O2)CC1.
What is the InChIKey of 8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is MXIWYKFMVNONEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-5-2-3-7-18(16)21(27)25-13-10-22(11-14-25)9-8-19(28-22)20(26)24-17-6-4-12-23-15-17/h2-7,12,15,19H,8-11,13-14H2,1H3,(H,24,26).
What are the key properties of 8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 134076520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).