4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide

C14H26N2O3 — CID 131640228

IUPAC4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
SMILESCCOCC12CCCOC1CCN(C(=O)N(C)C)C2
InChIInChI=1S/C14H26N2O3/c1-4-18-11-14-7-5-9-19-12(14)6-8-16(10-14)13(17)15(2)3/h12H,4-11H2,1-3H3
InChIKeyXXDBYCIOYNYKTG-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.58
Rot. Bonds3

About 4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide

4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide (PubChem CID 131640228) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
PubChem CID131640228
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
SMILESCCOCC12CCCOC1CCN(C(=O)N(C)C)C2
InChIInChI=1S/C14H26N2O3/c1-4-18-11-14-7-5-9-19-12(14)6-8-16(10-14)13(17)15(2)3/h12H,4-11H2,1-3H3
InChIKeyXXDBYCIOYNYKTG-UHFFFAOYSA-N
XLogP1.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide (CID 131640228) is 4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide is CCOCC12CCCOC1CCN(C(=O)N(C)C)C2.
What is the InChIKey of 4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide?
The InChIKey is XXDBYCIOYNYKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-18-11-14-7-5-9-19-12(14)6-8-16(10-14)13(17)15(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide?
4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 131640228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).