(4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

C20H26N4O — CID 97364588

IUPAC(4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCc1cccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](Nc3ccccn3)C2)n1
InChIInChI=1S/C20H26N4O/c1-15-6-4-8-17(22-15)13-24-12-16-7-5-11-25-20(16)18(14-24)23-19-9-2-3-10-21-19/h2-4,6,8-10,16,18,20H,5,7,11-14H2,1H3,(H,21,23)/t16-,18+,20-/m0/s1
InChIKeyJQMKLLNTBPENCV-HQRMLTQVSA-N
MW338.45 g/mol
LogP2.88
Rot. Bonds4

About (4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

(4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (PubChem CID 97364588) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.

Molecular Properties

Compound Name(4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
PubChem CID97364588
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCc1cccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](Nc3ccccn3)C2)n1
InChIInChI=1S/C20H26N4O/c1-15-6-4-8-17(22-15)13-24-12-16-7-5-11-25-20(16)18(14-24)23-19-9-2-3-10-21-19/h2-4,6,8-10,16,18,20H,5,7,11-14H2,1H3,(H,21,23)/t16-,18+,20-/m0/s1
InChIKeyJQMKLLNTBPENCV-HQRMLTQVSA-N
XLogP2.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The IUPAC name of (4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (CID 97364588) is (4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.
What is the SMILES notation for (4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The canonical SMILES for (4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is Cc1cccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](Nc3ccccn3)C2)n1.
What is the InChIKey of (4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The InChIKey is JQMKLLNTBPENCV-HQRMLTQVSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-6-4-8-17(22-15)13-24-12-16-7-5-11-25-20(16)18(14-24)23-19-9-2-3-10-21-19/h2-4,6,8-10,16,18,20H,5,7,11-14H2,1H3,(H,21,23)/t16-,18+,20-/m0/s1.
What are the key properties of (4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
(4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine has a molecular weight of 338.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8R,8aS)-6-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is sourced from PubChem (CID 97364588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).