2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide

C21H19N3O2 — CID 790215

IUPAC2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3)n2)c1
InChIInChI=1S/C21H19N3O2/c1-14-6-3-8-16(12-14)22-20(25)18-10-5-11-19(24-18)21(26)23-17-9-4-7-15(2)13-17/h3-13H,1-2H3,(H,22,25)(H,23,26)
InChIKeyAWJBOFHHXKIQGK-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.20
Rot. Bonds4

About 2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 790215) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide
PubChem CID790215
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3)n2)c1
InChIInChI=1S/C21H19N3O2/c1-14-6-3-8-16(12-14)22-20(25)18-10-5-11-19(24-18)21(26)23-17-9-4-7-15(2)13-17/h3-13H,1-2H3,(H,22,25)(H,23,26)
InChIKeyAWJBOFHHXKIQGK-UHFFFAOYSA-N
XLogP4.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide (CID 790215) is 2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide is Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3)n2)c1.
What is the InChIKey of 2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is AWJBOFHHXKIQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-6-3-8-16(12-14)22-20(25)18-10-5-11-19(24-18)21(26)23-17-9-4-7-15(2)13-17/h3-13H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(3-methylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 790215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).