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

C21H19N3O4 — CID 4118086

IUPAC2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(OC)c3)n2)c1
InChIInChI=1S/C21H19N3O4/c1-27-16-8-3-6-14(12-16)22-20(25)18-10-5-11-19(24-18)21(26)23-15-7-4-9-17(13-15)28-2/h3-13H,1-2H3,(H,22,25)(H,23,26)
InChIKeyXPORTZIUVVOPMT-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.60
Rot. Bonds6

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

2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide (PubChem CID 4118086) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide
PubChem CID4118086
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(OC)c3)n2)c1
InChIInChI=1S/C21H19N3O4/c1-27-16-8-3-6-14(12-16)22-20(25)18-10-5-11-19(24-18)21(26)23-15-7-4-9-17(13-15)28-2/h3-13H,1-2H3,(H,22,25)(H,23,26)
InChIKeyXPORTZIUVVOPMT-UHFFFAOYSA-N
XLogP3.60
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide (CID 4118086) is 2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide is COc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(OC)c3)n2)c1.
What is the InChIKey of 2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is XPORTZIUVVOPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-16-8-3-6-14(12-16)22-20(25)18-10-5-11-19(24-18)21(26)23-15-7-4-9-17(13-15)28-2/h3-13H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 4118086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).