1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

C17H19N3O3 — CID 126675974

IUPAC1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c1-3-19-15(21)13-9-14(16(22)18-2)17(23)20(11-13)10-12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyXFWIXXZNFMSKTP-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.01
Rot. Bonds5

About 1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126675974) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
PubChem CID126675974
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cc(C(=O)NC)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c1-3-19-15(21)13-9-14(16(22)18-2)17(23)20(11-13)10-12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyXFWIXXZNFMSKTP-UHFFFAOYSA-N
XLogP1.01
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (CID 126675974) is 1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is CCNC(=O)c1cc(C(=O)NC)c(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is XFWIXXZNFMSKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-19-15(21)13-9-14(16(22)18-2)17(23)20(11-13)10-12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126675974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).