1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide

C16H17N3O3 — CID 129022870

IUPAC1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C16H17N3O3/c1-17-14(20)12-8-13(15(21)18-2)16(22)19(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyDANLNXYNIAMHCE-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.62
Rot. Bonds4

About 1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide

1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide (PubChem CID 129022870) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide
PubChem CID129022870
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C16H17N3O3/c1-17-14(20)12-8-13(15(21)18-2)16(22)19(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyDANLNXYNIAMHCE-UHFFFAOYSA-N
XLogP0.62
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide (CID 129022870) is 1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC)c(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is DANLNXYNIAMHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-17-14(20)12-8-13(15(21)18-2)16(22)19(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide?
1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 129022870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).