2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide

C16H17N3O2 — CID 131988908

IUPAC2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc(CCc2ccccc2)n1
InChIInChI=1S/C16H17N3O2/c1-18-16(21)14-10-12(15(17)20)9-13(19-14)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,17,20)(H,18,21)
InChIKeyJXKZVXHOQSFKOK-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.33
Rot. Bonds5

About 2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide

2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 131988908) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID131988908
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc(CCc2ccccc2)n1
InChIInChI=1S/C16H17N3O2/c1-18-16(21)14-10-12(15(17)20)9-13(19-14)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,17,20)(H,18,21)
InChIKeyJXKZVXHOQSFKOK-UHFFFAOYSA-N
XLogP1.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide (CID 131988908) is 2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(N)=O)cc(CCc2ccccc2)n1.
What is the InChIKey of 2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is JXKZVXHOQSFKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-18-16(21)14-10-12(15(17)20)9-13(19-14)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide?
2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 131988908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).