(3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C14H18FN3O3 — CID 97273530

IUPAC(3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cccnc1F)N1CCC2(CC1)C[C@H](O)CO2
InChIInChI=1S/C14H18FN3O3/c15-12-11(2-1-5-16-12)17-13(20)18-6-3-14(4-7-18)8-10(19)9-21-14/h1-2,5,10,19H,3-4,6-9H2,(H,17,20)/t10-/m0/s1
InChIKeyRGNWIRHKGXXRLQ-JTQLQIEISA-N
MW295.31 g/mol
LogP1.37
Rot. Bonds1

About (3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

(3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 97273530) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is (3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID97273530
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name(3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cccnc1F)N1CCC2(CC1)C[C@H](O)CO2
InChIInChI=1S/C14H18FN3O3/c15-12-11(2-1-5-16-12)17-13(20)18-6-3-14(4-7-18)8-10(19)9-21-14/h1-2,5,10,19H,3-4,6-9H2,(H,17,20)/t10-/m0/s1
InChIKeyRGNWIRHKGXXRLQ-JTQLQIEISA-N
XLogP1.37
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97285803
(3R)-3-hydroxy-N-[4-(5-methyltetrazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97286410
(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 68609344
[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842871
(3S)-3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97282135
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 79043834
2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131662176
[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450581
[(3S)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-3-ylmethanone
CID 124993609
1-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-3-hydroxypropan-1-one
CID 97486977
pyridin-2-yl-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395040

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 97273530) is (3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(Nc1cccnc1F)N1CCC2(CC1)C[C@H](O)CO2.
What is the InChIKey of (3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is RGNWIRHKGXXRLQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-12-11(2-1-5-16-12)17-13(20)18-6-3-14(4-7-18)8-10(19)9-21-14/h1-2,5,10,19H,3-4,6-9H2,(H,17,20)/t10-/m0/s1.
What are the key properties of (3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
(3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 97273530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).