(2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C24H29N3O3 — CID 124522468

IUPAC(2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCc1ccc(C(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)cc1C
InChIInChI=1S/C24H29N3O3/c1-16-6-7-19(13-17(16)2)23(29)27-12-10-24(18(3)15-27)9-8-21(30-24)22(28)26-20-5-4-11-25-14-20/h4-7,11,13-14,18,21H,8-10,12,15H2,1-3H3,(H,26,28)/t18-,21-,24-/m1/s1
InChIKeySIHLECYTWQKVCW-MEKIYTOJSA-N
MW407.51 g/mol
LogP3.74
Rot. Bonds3

About (2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

(2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 124522468) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID124522468
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCc1ccc(C(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)cc1C
InChIInChI=1S/C24H29N3O3/c1-16-6-7-19(13-17(16)2)23(29)27-12-10-24(18(3)15-27)9-8-21(30-24)22(28)26-20-5-4-11-25-14-20/h4-7,11,13-14,18,21H,8-10,12,15H2,1-3H3,(H,26,28)/t18-,21-,24-/m1/s1
InChIKeySIHLECYTWQKVCW-MEKIYTOJSA-N
XLogP3.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 124913520
6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076540
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
6-methyl-N-pyridin-3-yl-8-[(E)-3-thiophen-2-ylprop-2-enoyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 155878538
(2S,5R,6S)-6-methyl-8-(4-methylphenyl)sulfonyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 98780731
[(2S,5R,6R)-8-(3-fluoro-4-methylbenzoyl)-6-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 124521046
8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076520
8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 131646713
(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492548
8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076517
(3aR,8aR)-1-methyl-6-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-3,4,5,7,8,8a-hexahydro-2H-pyrrolo[2,3-d]azepine-3a-carboxamide
CID 155873475

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 124522468) is (2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is Cc1ccc(C(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)cc1C.
What is the InChIKey of (2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is SIHLECYTWQKVCW-MEKIYTOJSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16-6-7-19(13-17(16)2)23(29)27-12-10-24(18(3)15-27)9-8-21(30-24)22(28)26-20-5-4-11-25-14-20/h4-7,11,13-14,18,21H,8-10,12,15H2,1-3H3,(H,26,28)/t18-,21-,24-/m1/s1.
What are the key properties of (2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
(2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 124522468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).