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

C24H28N4O4 — CID 73333524

IUPAC(3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine
SMILESCOc1ccc2nccc(CC[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H28N4O4/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/h6-9,12,14,17,19,26H,2-5,10-11,13,15H2,1H3/t17-,19-/m1/s1
InChIKeyPSWGGCHTEAIXLM-IEBWSBKVSA-N
MW436.51 g/mol
LogP3.07
Rot. Bonds7

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

(3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine (PubChem CID 73333524) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is (3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine.

Molecular Properties

Compound Name(3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine
PubChem CID73333524
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name(3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine
SMILESCOc1ccc2nccc(CC[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H28N4O4/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/h6-9,12,14,17,19,26H,2-5,10-11,13,15H2,1H3/t17-,19-/m1/s1
InChIKeyPSWGGCHTEAIXLM-IEBWSBKVSA-N
XLogP3.07
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
6-{5-[(2S)-2-amino-3-(quinolin-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23647000
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 10097082
(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide
CID 11698127
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040
1-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinazolin-2-one
CID 56834575
6-[[[(3R,6S)-6-[1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67365574
6-[[[(3R,6S)-6-[1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67366123
(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
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 145968894

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine?
The IUPAC name of (3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine (CID 73333524) is (3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine.
What is the SMILES notation for (3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine?
The canonical SMILES for (3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine is COc1ccc2nccc(CC[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1.
What is the InChIKey of (3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine?
The InChIKey is PSWGGCHTEAIXLM-IEBWSBKVSA-N. The full InChI is InChI=1S/C24H28N4O4/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/h6-9,12,14,17,19,26H,2-5,10-11,13,15H2,1H3/t17-,19-/m1/s1.
What are the key properties of (3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine?
(3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine has a molecular weight of 436.51 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-amine is sourced from PubChem (CID 73333524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).