3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine

C17H21FN4O2 — CID 59130268

IUPAC3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
SMILESCOc1ccc2ncc(F)c(CCN3CC4CC(N)C(C3)O4)c2n1
InChIInChI=1S/C17H21FN4O2/c1-23-16-3-2-14-17(21-16)11(12(18)7-20-14)4-5-22-8-10-6-13(19)15(9-22)24-10/h2-3,7,10,13,15H,4-6,8-9,19H2,1H3
InChIKeyMYDSJWMKWFUCME-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.12
Rot. Bonds4

About 3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine

3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine (PubChem CID 59130268) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine.

Molecular Properties

Compound Name3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
PubChem CID59130268
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
SMILESCOc1ccc2ncc(F)c(CCN3CC4CC(N)C(C3)O4)c2n1
InChIInChI=1S/C17H21FN4O2/c1-23-16-3-2-14-17(21-16)11(12(18)7-20-14)4-5-22-8-10-6-13(19)15(9-22)24-10/h2-3,7,10,13,15H,4-6,8-9,19H2,1H3
InChIKeyMYDSJWMKWFUCME-UHFFFAOYSA-N
XLogP1.12
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
The IUPAC name of 3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine (CID 59130268) is 3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine.
What is the SMILES notation for 3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
The canonical SMILES for 3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine is COc1ccc2ncc(F)c(CCN3CC4CC(N)C(C3)O4)c2n1.
What is the InChIKey of 3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
The InChIKey is MYDSJWMKWFUCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-23-16-3-2-14-17(21-16)11(12(18)7-20-14)4-5-22-8-10-6-13(19)15(9-22)24-10/h2-3,7,10,13,15H,4-6,8-9,19H2,1H3.
What are the key properties of 3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine has a molecular weight of 332.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine is sourced from PubChem (CID 59130268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).