6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide

C17H19N3O2 — CID 151280401

IUPAC6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide
SMILESCCNC(=O)c1cc(Cc2ccccc2)nc(C(=O)NC)c1
InChIInChI=1S/C17H19N3O2/c1-3-19-16(21)13-10-14(9-12-7-5-4-6-8-12)20-15(11-13)17(22)18-2/h4-8,10-11H,3,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyNYGFAAJVFGLGIG-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.78
Rot. Bonds5

About 6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide

6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 151280401) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID151280401
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide
SMILESCCNC(=O)c1cc(Cc2ccccc2)nc(C(=O)NC)c1
InChIInChI=1S/C17H19N3O2/c1-3-19-16(21)13-10-14(9-12-7-5-4-6-8-12)20-15(11-13)17(22)18-2/h4-8,10-11H,3,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyNYGFAAJVFGLGIG-UHFFFAOYSA-N
XLogP1.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide (CID 151280401) is 6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide is CCNC(=O)c1cc(Cc2ccccc2)nc(C(=O)NC)c1.
What is the InChIKey of 6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is NYGFAAJVFGLGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-19-16(21)13-10-14(9-12-7-5-4-6-8-12)20-15(11-13)17(22)18-2/h4-8,10-11H,3,9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide?
6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 151280401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).