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

C14H21N3O — CID 97387591

IUPAC(4aS,8R,8aS)-6-methyl-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCN1C[C@@H]2CCCO[C@@H]2[C@H](Nc2ccccn2)C1
InChIInChI=1S/C14H21N3O/c1-17-9-11-5-4-8-18-14(11)12(10-17)16-13-6-2-3-7-15-13/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3,(H,15,16)/t11-,12+,14-/m0/s1
InChIKeyKTQLZUUQFIGEMF-SCRDCRAPSA-N
MW247.34 g/mol
LogP1.60
Rot. Bonds2

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

(4aS,8R,8aS)-6-methyl-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (PubChem CID 97387591) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4aS,8R,8aS)-6-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-methyl-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
PubChem CID97387591
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4aS,8R,8aS)-6-methyl-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCN1C[C@@H]2CCCO[C@@H]2[C@H](Nc2ccccn2)C1
InChIInChI=1S/C14H21N3O/c1-17-9-11-5-4-8-18-14(11)12(10-17)16-13-6-2-3-7-15-13/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3,(H,15,16)/t11-,12+,14-/m0/s1
InChIKeyKTQLZUUQFIGEMF-SCRDCRAPSA-N
XLogP1.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aS,8R,8aS)-6-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-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-methyl-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (CID 97387591) is (4aS,8R,8aS)-6-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-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-methyl-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is CN1C[C@@H]2CCCO[C@@H]2[C@H](Nc2ccccn2)C1.
What is the InChIKey of (4aS,8R,8aS)-6-methyl-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The InChIKey is KTQLZUUQFIGEMF-SCRDCRAPSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17-9-11-5-4-8-18-14(11)12(10-17)16-13-6-2-3-7-15-13/h2-3,6-7,11-12,14H,4-5,8-10H2,1H3,(H,15,16)/t11-,12+,14-/m0/s1.
What are the key properties of (4aS,8R,8aS)-6-methyl-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
(4aS,8R,8aS)-6-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 247.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8R,8aS)-6-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 97387591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).