6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide

C20H23N3O3 — CID 138557106

IUPAC6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCOCC2)cc(Cc2ccccc2)n1
InChIInChI=1S/C20H23N3O3/c1-21-20(25)18-13-15(19(24)23-16-7-9-26-10-8-16)12-17(22-18)11-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3,(H,21,25)(H,23,24)
InChIKeyXIXHFORODMAKBS-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.94
Rot. Bonds5

About 6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide

6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide (PubChem CID 138557106) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide
PubChem CID138557106
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCOCC2)cc(Cc2ccccc2)n1
InChIInChI=1S/C20H23N3O3/c1-21-20(25)18-13-15(19(24)23-16-7-9-26-10-8-16)12-17(22-18)11-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3,(H,21,25)(H,23,24)
InChIKeyXIXHFORODMAKBS-UHFFFAOYSA-N
XLogP1.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide (CID 138557106) is 6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCOCC2)cc(Cc2ccccc2)n1.
What is the InChIKey of 6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide?
The InChIKey is XIXHFORODMAKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-21-20(25)18-13-15(19(24)23-16-7-9-26-10-8-16)12-17(22-18)11-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide?
6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 138557106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).