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

C15H18FN3O3 — CID 146503167

IUPAC2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
SMILESCOc1ccc2ncc(F)c(CCC3OCC(N)CO3)c2n1
InChIInChI=1S/C15H18FN3O3/c1-20-13-4-3-12-15(19-13)10(11(16)6-18-12)2-5-14-21-7-9(17)8-22-14/h3-4,6,9,14H,2,5,7-8,17H2,1H3
InChIKeyXPHHSNZAIMUPON-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.41
Rot. Bonds4

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

2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine (PubChem CID 146503167) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
PubChem CID146503167
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
SMILESCOc1ccc2ncc(F)c(CCC3OCC(N)CO3)c2n1
InChIInChI=1S/C15H18FN3O3/c1-20-13-4-3-12-15(19-13)10(11(16)6-18-12)2-5-14-21-7-9(17)8-22-14/h3-4,6,9,14H,2,5,7-8,17H2,1H3
InChIKeyXPHHSNZAIMUPON-UHFFFAOYSA-N
XLogP1.41
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-amine
CID 141165400
N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503160
8-[2-[5-[4-(3,4-dichlorophenyl)triazol-1-yl]-1,3-dioxan-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 177226934
7-fluoro-2-methoxy-8-(2-phenylethyl)-1,5-naphthyridine
CID 141180436
8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 143269696
4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]bicyclo[2.2.1]heptan-1-amine
CID 71152906
3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
CID 59130268
(3aR,4R,6aS)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011507
1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 71151201
7-fluoro-2-methoxy-8-[2-(oxiran-2-yl)ethyl]quinoline
CID 86640611
1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 70898198
8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 59011512

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
The IUPAC name of 2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine (CID 146503167) is 2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine.
What is the SMILES notation for 2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
The canonical SMILES for 2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine is COc1ccc2ncc(F)c(CCC3OCC(N)CO3)c2n1.
What is the InChIKey of 2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
The InChIKey is XPHHSNZAIMUPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-20-13-4-3-12-15(19-13)10(11(16)6-18-12)2-5-14-21-7-9(17)8-22-14/h3-4,6,9,14H,2,5,7-8,17H2,1H3.
What are the key properties of 2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine has a molecular weight of 307.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine is sourced from PubChem (CID 146503167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).