2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine

C26H29N3O6 — CID 139179480

IUPAC2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine
SMILESC[C@H]1O[C@H]2O[C@H](COCc3ccccn3)[C@H](OCc3ccccn3)[C@H](OCc3ccccn3)[C@H]2O1
InChIInChI=1S/C26H29N3O6/c1-18-33-25-24(32-16-21-10-4-7-13-29-21)23(31-15-20-9-3-6-12-28-20)22(35-26(25)34-18)17-30-14-19-8-2-5-11-27-19/h2-13,18,22-26H,14-17H2,1H3/t18-,22-,23+,24+,25-,26+/m1/s1
InChIKeyVWMYCLJONMOSFS-YARVNZJRSA-N
MW479.53 g/mol
LogP3.05
Rot. Bonds10

About 2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine

2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine (PubChem CID 139179480) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is 2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine.

Molecular Properties

Compound Name2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine
PubChem CID139179480
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine
SMILESC[C@H]1O[C@H]2O[C@H](COCc3ccccn3)[C@H](OCc3ccccn3)[C@H](OCc3ccccn3)[C@H]2O1
InChIInChI=1S/C26H29N3O6/c1-18-33-25-24(32-16-21-10-4-7-13-29-21)23(31-15-20-9-3-6-12-28-20)22(35-26(25)34-18)17-30-14-19-8-2-5-11-27-19/h2-13,18,22-26H,14-17H2,1H3/t18-,22-,23+,24+,25-,26+/m1/s1
InChIKeyVWMYCLJONMOSFS-YARVNZJRSA-N
XLogP3.05
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine with MolForge

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Related Compounds

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CID 22825503
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(3aR,5R,6S,7S,7aR)-2-methoxy-2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
CID 11092391
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CID 59226777
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iodoethane;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine
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(6S,7S)-7-[(2S,4R,5S)-3,6-dimethyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,5-dimethyl-6-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
CID 90788540

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine?
The IUPAC name of 2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine (CID 139179480) is 2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine.
What is the SMILES notation for 2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine?
The canonical SMILES for 2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine is C[C@H]1O[C@H]2O[C@H](COCc3ccccn3)[C@H](OCc3ccccn3)[C@H](OCc3ccccn3)[C@H]2O1.
What is the InChIKey of 2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine?
The InChIKey is VWMYCLJONMOSFS-YARVNZJRSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-18-33-25-24(32-16-21-10-4-7-13-29-21)23(31-15-20-9-3-6-12-28-20)22(35-26(25)34-18)17-30-14-19-8-2-5-11-27-19/h2-13,18,22-26H,14-17H2,1H3/t18-,22-,23+,24+,25-,26+/m1/s1.
What are the key properties of 2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine?
2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine has a molecular weight of 479.53 g/mol, XLogP of 3.05, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine is sourced from PubChem (CID 139179480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).