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

C24H26FN3O5 — CID 146503169

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
SMILESCOc1ccc2ncc(F)c(CCC3OCC(NCc4ccc5c(c4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H26FN3O5/c1-29-22-6-4-19-24(28-22)17(18(25)12-27-19)3-7-23-32-13-16(14-33-23)26-11-15-2-5-20-21(10-15)31-9-8-30-20/h2,4-6,10,12,16,23,26H,3,7-9,11,13-14H2,1H3
InChIKeyOPVYLOUYHYOUFG-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.01
Rot. Bonds7

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

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine (PubChem CID 146503169) has the molecular formula C24H26FN3O5 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
PubChem CID146503169
Molecular FormulaC24H26FN3O5
Molecular Weight455.49 g/mol
Exact Mass455.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
SMILESCOc1ccc2ncc(F)c(CCC3OCC(NCc4ccc5c(c4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H26FN3O5/c1-29-22-6-4-19-24(28-22)17(18(25)12-27-19)3-7-23-32-13-16(14-33-23)26-11-15-2-5-20-21(10-15)31-9-8-30-20/h2,4-6,10,12,16,23,26H,3,7-9,11,13-14H2,1H3
InChIKeyOPVYLOUYHYOUFG-UHFFFAOYSA-N
XLogP3.01
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine (CID 146503169) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine is COc1ccc2ncc(F)c(CCC3OCC(NCc4ccc5c(c4)OCCO5)CO3)c2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
The InChIKey is OPVYLOUYHYOUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5/c1-29-22-6-4-19-24(28-22)17(18(25)12-27-19)3-7-23-32-13-16(14-33-23)26-11-15-2-5-20-21(10-15)31-9-8-30-20/h2,4-6,10,12,16,23,26H,3,7-9,11,13-14H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine has a molecular weight of 455.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine is sourced from PubChem (CID 146503169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).