4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine

C18H22FN3O — CID 71152906

IUPAC4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine
SMILESCOc1ccc2ncc(F)c(CCC34CCC(N)(CC3)C4)c2n1
InChIInChI=1S/C18H22FN3O/c1-23-15-3-2-14-16(22-15)12(13(19)10-21-14)4-5-17-6-8-18(20,11-17)9-7-17/h2-3,10H,4-9,11,20H2,1H3
InChIKeyZSNAFMZTRALFMV-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.37
Rot. Bonds4

About 4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine

4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine (PubChem CID 71152906) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine.

Molecular Properties

Compound Name4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine
PubChem CID71152906
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine
SMILESCOc1ccc2ncc(F)c(CCC34CCC(N)(CC3)C4)c2n1
InChIInChI=1S/C18H22FN3O/c1-23-15-3-2-14-16(22-15)12(13(19)10-21-14)4-5-17-6-8-18(20,11-17)9-7-17/h2-3,10H,4-9,11,20H2,1H3
InChIKeyZSNAFMZTRALFMV-UHFFFAOYSA-N
XLogP3.37
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine?
The IUPAC name of 4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine (CID 71152906) is 4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine.
What is the SMILES notation for 4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine?
The canonical SMILES for 4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine is COc1ccc2ncc(F)c(CCC34CCC(N)(CC3)C4)c2n1.
What is the InChIKey of 4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine?
The InChIKey is ZSNAFMZTRALFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-23-15-3-2-14-16(22-15)12(13(19)10-21-14)4-5-17-6-8-18(20,11-17)9-7-17/h2-3,10H,4-9,11,20H2,1H3.
What are the key properties of 4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine?
4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine has a molecular weight of 315.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine is sourced from PubChem (CID 71152906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).