6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide

C18H19N3O3 — CID 175356691

IUPAC6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
SMILESCN(C(=O)c1cc(C(N)=O)cc(Cc2ccccc2)n1)C1COC1
InChIInChI=1S/C18H19N3O3/c1-21(15-10-24-11-15)18(23)16-9-13(17(19)22)8-14(20-16)7-12-5-3-2-4-6-12/h2-6,8-9,15H,7,10-11H2,1H3,(H2,19,22)
InChIKeyPCAVAJHKMUGBIZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.24
Rot. Bonds5

About 6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide

6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide (PubChem CID 175356691) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
PubChem CID175356691
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
SMILESCN(C(=O)c1cc(C(N)=O)cc(Cc2ccccc2)n1)C1COC1
InChIInChI=1S/C18H19N3O3/c1-21(15-10-24-11-15)18(23)16-9-13(17(19)22)8-14(20-16)7-12-5-3-2-4-6-12/h2-6,8-9,15H,7,10-11H2,1H3,(H2,19,22)
InChIKeyPCAVAJHKMUGBIZ-UHFFFAOYSA-N
XLogP1.24
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide (CID 175356691) is 6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide is CN(C(=O)c1cc(C(N)=O)cc(Cc2ccccc2)n1)C1COC1.
What is the InChIKey of 6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide?
The InChIKey is PCAVAJHKMUGBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-21(15-10-24-11-15)18(23)16-9-13(17(19)22)8-14(20-16)7-12-5-3-2-4-6-12/h2-6,8-9,15H,7,10-11H2,1H3,(H2,19,22).
What are the key properties of 6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide?
6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 175356691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).