6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

C14H20N2O — CID 86797287

IUPAC6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCc1cccc(N2CCC3OCCCC3C2)n1
InChIInChI=1S/C14H20N2O/c1-11-4-2-6-14(15-11)16-8-7-13-12(10-16)5-3-9-17-13/h2,4,6,12-13H,3,5,7-10H2,1H3
InChIKeyKXTCLVQVFQHQEV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.40
Rot. Bonds1

About 6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (PubChem CID 86797287) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.

Molecular Properties

Compound Name6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
PubChem CID86797287
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCc1cccc(N2CCC3OCCCC3C2)n1
InChIInChI=1S/C14H20N2O/c1-11-4-2-6-14(15-11)16-8-7-13-12(10-16)5-3-9-17-13/h2,4,6,12-13H,3,5,7-10H2,1H3
InChIKeyKXTCLVQVFQHQEV-UHFFFAOYSA-N
XLogP2.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The IUPAC name of 6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (CID 86797287) is 6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.
What is the SMILES notation for 6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The canonical SMILES for 6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is Cc1cccc(N2CCC3OCCCC3C2)n1.
What is the InChIKey of 6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The InChIKey is KXTCLVQVFQHQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-4-2-6-14(15-11)16-8-7-13-12(10-16)5-3-9-17-13/h2,4,6,12-13H,3,5,7-10H2,1H3.
What are the key properties of 6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine has a molecular weight of 232.33 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is sourced from PubChem (CID 86797287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).