4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine

C18H20F3N5O2 — CID 118873433

IUPAC4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(N2CCC3(CC2)OCCO3)cc1-c1ccnc(C(F)(F)F)c1N
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)16-15(23)11(1-4-24-16)12-9-14(25-10-13(12)22)26-5-2-17(3-6-26)27-7-8-28-17/h1,4,9-10H,2-3,5-8,22-23H2
InChIKeyZEQVTCAKGFLPRY-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.67
Rot. Bonds2

About 4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine

4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine (PubChem CID 118873433) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine
PubChem CID118873433
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(N2CCC3(CC2)OCCO3)cc1-c1ccnc(C(F)(F)F)c1N
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)16-15(23)11(1-4-24-16)12-9-14(25-10-13(12)22)26-5-2-17(3-6-26)27-7-8-28-17/h1,4,9-10H,2-3,5-8,22-23H2
InChIKeyZEQVTCAKGFLPRY-UHFFFAOYSA-N
XLogP2.67
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine (CID 118873433) is 4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine is Nc1cnc(N2CCC3(CC2)OCCO3)cc1-c1ccnc(C(F)(F)F)c1N.
What is the InChIKey of 4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ZEQVTCAKGFLPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c19-18(20,21)16-15(23)11(1-4-24-16)12-9-14(25-10-13(12)22)26-5-2-17(3-6-26)27-7-8-28-17/h1,4,9-10H,2-3,5-8,22-23H2.
What are the key properties of 4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine?
4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine has a molecular weight of 395.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]-2-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 118873433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).