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

C20H23N3O3S — CID 124913520

IUPAC(2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccsc2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2
InChIInChI=1S/C20H23N3O3S/c1-14-12-23(19(25)15-5-10-27-13-15)9-7-20(14)6-4-17(26-20)18(24)22-16-3-2-8-21-11-16/h2-3,5,8,10-11,13-14,17H,4,6-7,9,12H2,1H3,(H,22,24)/t14-,17+,20-/m1/s1
InChIKeyNYICXIOCRVGRQX-CFLQYTFWSA-N
MW385.49 g/mol
LogP3.18
Rot. Bonds3

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

(2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 124913520) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID124913520
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name(2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccsc2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2
InChIInChI=1S/C20H23N3O3S/c1-14-12-23(19(25)15-5-10-27-13-15)9-7-20(14)6-4-17(26-20)18(24)22-16-3-2-8-21-11-16/h2-3,5,8,10-11,13-14,17H,4,6-7,9,12H2,1H3,(H,22,24)/t14-,17+,20-/m1/s1
InChIKeyNYICXIOCRVGRQX-CFLQYTFWSA-N
XLogP3.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076540
(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-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076821
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,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 124913655
(2S,5R,6S)-6-methyl-8-(4-methylphenyl)sulfonyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 98780731
N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076522
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
[(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 124521040
8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076517
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817

Frequently Asked Questions

What is the IUPAC name of (2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 124913520) is (2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is C[C@@H]1CN(C(=O)c2ccsc2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2.
What is the InChIKey of (2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is NYICXIOCRVGRQX-CFLQYTFWSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14-12-23(19(25)15-5-10-27-13-15)9-7-20(14)6-4-17(26-20)18(24)22-16-3-2-8-21-11-16/h2-3,5,8,10-11,13-14,17H,4,6-7,9,12H2,1H3,(H,22,24)/t14-,17+,20-/m1/s1.
What are the key properties of (2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
(2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 124913520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).