2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide

C21H13F6N3O2 — CID 1028214

IUPAC2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C21H13F6N3O2/c22-20(23,24)12-6-1-3-8-14(12)29-18(31)16-10-5-11-17(28-16)19(32)30-15-9-4-2-7-13(15)21(25,26)27/h1-11H,(H,29,31)(H,30,32)
InChIKeyFZFSPSRKGWWPHD-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.62
Rot. Bonds4

About 2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide (PubChem CID 1028214) has the molecular formula C21H13F6N3O2 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
PubChem CID1028214
Molecular FormulaC21H13F6N3O2
Molecular Weight453.34 g/mol
Exact Mass453.09
IUPAC Name2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C21H13F6N3O2/c22-20(23,24)12-6-1-3-8-14(12)29-18(31)16-10-5-11-17(28-16)19(32)30-15-9-4-2-7-13(15)21(25,26)27/h1-11H,(H,29,31)(H,30,32)
InChIKeyFZFSPSRKGWWPHD-UHFFFAOYSA-N
XLogP5.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.62
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[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide (CID 1028214) is 2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is FZFSPSRKGWWPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N3O2/c22-20(23,24)12-6-1-3-8-14(12)29-18(31)16-10-5-11-17(28-16)19(32)30-15-9-4-2-7-13(15)21(25,26)27/h1-11H,(H,29,31)(H,30,32).
What are the key properties of 2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 453.34 g/mol, XLogP of 5.62, 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[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 1028214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).