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

C24H26N4O4 — CID 73333522

IUPAC(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine
SMILESCOc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H26N4O4/c1-29-23-7-6-20-24(28-23)16(8-9-25-20)2-4-19-5-3-17(15-32-19)26-13-18-12-21-22(14-27-18)31-11-10-30-21/h2,4,6-9,12,14,17,19,26H,3,5,10-11,13,15H2,1H3/b4-2+/t17-,19-/m1/s1
InChIKeyROYGGNJCSVBHRS-ULIAPGIUSA-N
MW434.50 g/mol
LogP3.16
Rot. Bonds6

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

(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine (PubChem CID 73333522) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine
PubChem CID73333522
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine
SMILESCOc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H26N4O4/c1-29-23-7-6-20-24(28-23)16(8-9-25-20)2-4-19-5-3-17(15-32-19)26-13-18-12-21-22(14-27-18)31-11-10-30-21/h2,4,6-9,12,14,17,19,26H,3,5,10-11,13,15H2,1H3/b4-2+/t17-,19-/m1/s1
InChIKeyROYGGNJCSVBHRS-ULIAPGIUSA-N
XLogP3.16
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]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-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine?
The IUPAC name of (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine (CID 73333522) is (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]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-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine?
The canonical SMILES for (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine is COc1ccc2nccc(/C=C/[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-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine?
The InChIKey is ROYGGNJCSVBHRS-ULIAPGIUSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-29-23-7-6-20-24(28-23)16(8-9-25-20)2-4-19-5-3-17(15-32-19)26-13-18-12-21-22(14-27-18)31-11-10-30-21/h2,4,6-9,12,14,17,19,26H,3,5,10-11,13,15H2,1H3/b4-2+/t17-,19-/m1/s1.
What are the key properties of (3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine?
(3R,6S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine has a molecular weight of 434.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-amine is sourced from PubChem (CID 73333522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).