2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

C14H20N2O4 — CID 91914773

IUPAC2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC2CCOCC2)c(OC)n1
InChIInChI=1S/C14H20N2O4/c1-18-12-4-3-11(14(16-12)19-2)13(17)15-9-10-5-7-20-8-6-10/h3-4,10H,5-9H2,1-2H3,(H,15,17)
InChIKeySFXUMIVYIRHQOY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.26
Rot. Bonds5

About 2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 91914773) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
PubChem CID91914773
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC2CCOCC2)c(OC)n1
InChIInChI=1S/C14H20N2O4/c1-18-12-4-3-11(14(16-12)19-2)13(17)15-9-10-5-7-20-8-6-10/h3-4,10H,5-9H2,1-2H3,(H,15,17)
InChIKeySFXUMIVYIRHQOY-UHFFFAOYSA-N
XLogP1.26
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (CID 91914773) is 2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is COc1ccc(C(=O)NCC2CCOCC2)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SFXUMIVYIRHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-18-12-4-3-11(14(16-12)19-2)13(17)15-9-10-5-7-20-8-6-10/h3-4,10H,5-9H2,1-2H3,(H,15,17).
What are the key properties of 2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 91914773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).