(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine

C23H26N4O5 — CID 73333428

IUPAC(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine
SMILESCOc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C23H26N4O5/c1-28-22-5-4-18-23(27-22)19(6-7-24-18)32-14-17-3-2-15(13-31-17)25-11-16-10-20-21(12-26-16)30-9-8-29-20/h4-7,10,12,15,17,25H,2-3,8-9,11,13-14H2,1H3/t15-,17+/m1/s1
InChIKeyDSDOZOZJMRNMPG-WBVHZDCISA-N
MW438.48 g/mol
LogP2.52
Rot. Bonds7

About (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine

(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine (PubChem CID 73333428) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine
PubChem CID73333428
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine
SMILESCOc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C23H26N4O5/c1-28-22-5-4-18-23(27-22)19(6-7-24-18)32-14-17-3-2-15(13-31-17)25-11-16-10-20-21(12-26-16)30-9-8-29-20/h4-7,10,12,15,17,25H,2-3,8-9,11,13-14H2,1H3/t15-,17+/m1/s1
InChIKeyDSDOZOZJMRNMPG-WBVHZDCISA-N
XLogP2.52
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine?
The IUPAC name of (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine (CID 73333428) is (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine.
What is the SMILES notation for (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine?
The canonical SMILES for (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine is COc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1.
What is the InChIKey of (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine?
The InChIKey is DSDOZOZJMRNMPG-WBVHZDCISA-N. The full InChI is InChI=1S/C23H26N4O5/c1-28-22-5-4-18-23(27-22)19(6-7-24-18)32-14-17-3-2-15(13-31-17)25-11-16-10-20-21(12-26-16)30-9-8-29-20/h4-7,10,12,15,17,25H,2-3,8-9,11,13-14H2,1H3/t15-,17+/m1/s1.
What are the key properties of (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine?
(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine has a molecular weight of 438.48 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-amine is sourced from PubChem (CID 73333428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).