5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide

C19H20FN3O3 — CID 109193919

IUPAC5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C19H20FN3O3/c20-15-3-1-2-4-16(15)22-18(24)17-6-5-14(13-21-17)23-9-7-19(8-10-23)25-11-12-26-19/h1-6,13H,7-12H2,(H,22,24)
InChIKeyBXBBBVXZIFBGEP-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.82
Rot. Bonds3

About 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109193919) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID109193919
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C19H20FN3O3/c20-15-3-1-2-4-16(15)22-18(24)17-6-5-14(13-21-17)23-9-7-19(8-10-23)25-11-12-26-19/h1-6,13H,7-12H2,(H,22,24)
InChIKeyBXBBBVXZIFBGEP-UHFFFAOYSA-N
XLogP2.82
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109123532
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261676
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109193937
N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
CID 109286066
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
CID 109286094
N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109198850
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191186
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109194366
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide
CID 113029120
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 109193035

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide (CID 109193919) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(N2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is BXBBBVXZIFBGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-3-1-2-4-16(15)22-18(24)17-6-5-14(13-21-17)23-9-7-19(8-10-23)25-11-12-26-19/h1-6,13H,7-12H2,(H,22,24).
What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109193919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).