N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C21H21FN2O4 — CID 155910918

IUPACN-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2cccnc2Oc2ccccc2F)C2(CCCCC2)O1
InChIInChI=1S/C21H21FN2O4/c22-15-7-2-3-9-17(15)27-20-16(8-6-12-23-20)24-19(26)14-13-18(25)28-21(14)10-4-1-5-11-21/h2-3,6-9,12,14H,1,4-5,10-11,13H2,(H,24,26)
InChIKeyAEIPLNCYQQJDMY-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.22
Rot. Bonds4

About N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 155910918) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID155910918
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC NameN-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2cccnc2Oc2ccccc2F)C2(CCCCC2)O1
InChIInChI=1S/C21H21FN2O4/c22-15-7-2-3-9-17(15)27-20-16(8-6-12-23-20)24-19(26)14-13-18(25)28-21(14)10-4-1-5-11-21/h2-3,6-9,12,14H,1,4-5,10-11,13H2,(H,24,26)
InChIKeyAEIPLNCYQQJDMY-UHFFFAOYSA-N
XLogP4.22
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 56730546
(2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 97282303
N-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 157017895
N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide
CID 155912342
(1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 118793687
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 2956170
(4S)-N-(4-methyl-2-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7290800
2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide
CID 162635647
(4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7102206
N-[2-(2-fluorophenoxy)-3-pyridinyl]-1H-indole-5-carboxamide
CID 155909547
(3R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 95193249
2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131892168

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 155910918) is N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is O=C1CC(C(=O)Nc2cccnc2Oc2ccccc2F)C2(CCCCC2)O1.
What is the InChIKey of N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is AEIPLNCYQQJDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c22-15-7-2-3-9-17(15)27-20-16(8-6-12-23-20)24-19(26)14-13-18(25)28-21(14)10-4-1-5-11-21/h2-3,6-9,12,14H,1,4-5,10-11,13H2,(H,24,26).
What are the key properties of N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 155910918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).