2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide

C21H13F6N3O2 — CID 91406755

IUPAC2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H13F6N3O2/c22-20(23,24)12-4-8-14(9-5-12)28-18(31)16-2-1-3-17(30-16)19(32)29-15-10-6-13(7-11-15)21(25,26)27/h1-11H,(H,28,31)(H,29,32)
InChIKeyJUBKMVDCYANHAG-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.62
Rot. Bonds4

About 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide (PubChem CID 91406755) has the molecular formula C21H13F6N3O2 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
PubChem CID91406755
Molecular FormulaC21H13F6N3O2
Molecular Weight453.34 g/mol
Exact Mass453.09
IUPAC Name2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H13F6N3O2/c22-20(23,24)12-4-8-14(9-5-12)28-18(31)16-2-1-3-17(30-16)19(32)29-15-10-6-13(7-11-15)21(25,26)27/h1-11H,(H,28,31)(H,29,32)
InChIKeyJUBKMVDCYANHAG-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[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide (CID 91406755) is 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is JUBKMVDCYANHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N3O2/c22-20(23,24)12-4-8-14(9-5-12)28-18(31)16-2-1-3-17(30-16)19(32)29-15-10-6-13(7-11-15)21(25,26)27/h1-11H,(H,28,31)(H,29,32).
What are the key properties of 2-N,6-N-bis[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[4-(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[4-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 91406755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).