6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine

C18H19F3N4O2 — CID 118873432

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine
SMILESNc1cnc(N2CCC3(CC2)OCCO3)cc1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)15-9-12(1-4-23-15)13-10-16(24-11-14(13)22)25-5-2-17(3-6-25)26-7-8-27-17/h1,4,9-11H,2-3,5-8,22H2
InChIKeyFSOVNRVOWADXCZ-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.09
Rot. Bonds2

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine (PubChem CID 118873432) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine
PubChem CID118873432
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine
SMILESNc1cnc(N2CCC3(CC2)OCCO3)cc1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)15-9-12(1-4-23-15)13-10-16(24-11-14(13)22)25-5-2-17(3-6-25)26-7-8-27-17/h1,4,9-11H,2-3,5-8,22H2
InChIKeyFSOVNRVOWADXCZ-UHFFFAOYSA-N
XLogP3.09
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine (CID 118873432) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine is Nc1cnc(N2CCC3(CC2)OCCO3)cc1-c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine?
The InChIKey is FSOVNRVOWADXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)15-9-12(1-4-23-15)13-10-16(24-11-14(13)22)25-5-2-17(3-6-25)26-7-8-27-17/h1,4,9-11H,2-3,5-8,22H2.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine has a molecular weight of 380.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 118873432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).