(3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine

C20H26N4O — CID 97460505

IUPAC(3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
SMILESCN(Cc1cccnc1)[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12
InChIInChI=1S/C20H26N4O/c1-23(13-16-6-4-9-21-12-16)19-15-24(14-17-7-2-3-10-22-17)18-8-5-11-25-20(18)19/h2-4,6-7,9-10,12,18-20H,5,8,11,13-15H2,1H3/t18-,19-,20+/m1/s1
InChIKeyMYBJSXQIPZENDI-AQNXPRMDSA-N
MW338.45 g/mol
LogP2.34
Rot. Bonds5

About (3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine

(3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine (PubChem CID 97460505) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine.

Molecular Properties

Compound Name(3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
PubChem CID97460505
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
SMILESCN(Cc1cccnc1)[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12
InChIInChI=1S/C20H26N4O/c1-23(13-16-6-4-9-21-12-16)19-15-24(14-17-7-2-3-10-22-17)18-8-5-11-25-20(18)19/h2-4,6-7,9-10,12,18-20H,5,8,11,13-15H2,1H3/t18-,19-,20+/m1/s1
InChIKeyMYBJSXQIPZENDI-AQNXPRMDSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine?
The IUPAC name of (3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine (CID 97460505) is (3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine.
What is the SMILES notation for (3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine?
The canonical SMILES for (3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine is CN(Cc1cccnc1)[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12.
What is the InChIKey of (3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine?
The InChIKey is MYBJSXQIPZENDI-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23(13-16-6-4-9-21-12-16)19-15-24(14-17-7-2-3-10-22-17)18-8-5-11-25-20(18)19/h2-4,6-7,9-10,12,18-20H,5,8,11,13-15H2,1H3/t18-,19-,20+/m1/s1.
What are the key properties of (3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine?
(3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine has a molecular weight of 338.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine is sourced from PubChem (CID 97460505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).