6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide

C20H20FN3O4 — CID 109098874

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(C(=O)N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H20FN3O4/c21-14-4-6-15(7-5-14)22-18(25)16-2-1-3-17(23-16)19(26)24-10-8-20(9-11-24)27-12-13-28-20/h1-7H,8-13H2,(H,22,25)
InChIKeyFOMHSGYWVXURKO-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.45
Rot. Bonds3

About 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide

6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109098874) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID109098874
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(C(=O)N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H20FN3O4/c21-14-4-6-15(7-5-14)22-18(25)16-2-1-3-17(23-16)19(26)24-10-8-20(9-11-24)27-12-13-28-20/h1-7H,8-13H2,(H,22,25)
InChIKeyFOMHSGYWVXURKO-UHFFFAOYSA-N
XLogP2.45
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide with MolForge

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Related Compounds

[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
N-(3-cyanophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109098880
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-fluoroanilino)pyrimidin-4-yl]methanone
CID 109310030
N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109098849
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109096677
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-fluoroanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372936
N-(4-acetamidophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095228
6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109097056
N-(3-fluorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094901
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109097046
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 43057701

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide (CID 109098874) is 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cccc(C(=O)N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is FOMHSGYWVXURKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c21-14-4-6-15(7-5-14)22-18(25)16-2-1-3-17(23-16)19(26)24-10-8-20(9-11-24)27-12-13-28-20/h1-7H,8-13H2,(H,22,25).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide?
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109098874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).