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

C20H23N3O3S — CID 134076522

IUPACN-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1cccnc1)C1CCC2(CCN(C(=O)Cc3ccsc3)CC2)O1
InChIInChI=1S/C20H23N3O3S/c24-18(12-15-4-11-27-14-15)23-9-6-20(7-10-23)5-3-17(26-20)19(25)22-16-2-1-8-21-13-16/h1-2,4,8,11,13-14,17H,3,5-7,9-10,12H2,(H,22,25)
InChIKeyRSGNOWMPRURMPK-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.86
Rot. Bonds4

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

N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 134076522) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID134076522
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1cccnc1)C1CCC2(CCN(C(=O)Cc3ccsc3)CC2)O1
InChIInChI=1S/C20H23N3O3S/c24-18(12-15-4-11-27-14-15)23-9-6-20(7-10-23)5-3-17(26-20)19(25)22-16-2-1-8-21-13-16/h1-2,4,8,11,13-14,17H,3,5-7,9-10,12H2,(H,22,25)
InChIKeyRSGNOWMPRURMPK-UHFFFAOYSA-N
XLogP2.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
(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-[(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
(2S,3aR,7aR)-N-pyridin-3-yl-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781922
1-[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-2-thiophen-3-ylethanone
CID 97399423
1-[(4S,5S)-4-hydroxy-5-pyridin-3-yloxyazepan-1-yl]-2-thiophen-3-ylethanone
CID 110128586
6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076540
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
(2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 124913655

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 134076522) is N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is O=C(Nc1cccnc1)C1CCC2(CCN(C(=O)Cc3ccsc3)CC2)O1.
What is the InChIKey of N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is RSGNOWMPRURMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-18(12-15-4-11-27-14-15)23-9-6-20(7-10-23)5-3-17(26-20)19(25)22-16-2-1-8-21-13-16/h1-2,4,8,11,13-14,17H,3,5-7,9-10,12H2,(H,22,25).
What are the key properties of N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 134076522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).