6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide

C25H15F6N5O2 — CID 169268201

IUPAC6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(=O)Nc2ccccc2-c2cncnc2)n1
InChIInChI=1S/C25H15F6N5O2/c26-24(27,28)15-8-16(25(29,30)31)10-17(9-15)34-22(37)20-6-3-7-21(35-20)23(38)36-19-5-2-1-4-18(19)14-11-32-13-33-12-14/h1-13H,(H,34,37)(H,36,38)
InChIKeyBICQFNAYTFSLII-UHFFFAOYSA-N
MW531.42 g/mol
LogP6.08
Rot. Bonds5

About 6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide

6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 169268201) has the molecular formula C25H15F6N5O2 and a molecular weight of 531.42 g/mol. Its IUPAC name is 6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide
PubChem CID169268201
Molecular FormulaC25H15F6N5O2
Molecular Weight531.42 g/mol
Exact Mass531.11
IUPAC Name6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(=O)Nc2ccccc2-c2cncnc2)n1
InChIInChI=1S/C25H15F6N5O2/c26-24(27,28)15-8-16(25(29,30)31)10-17(9-15)34-22(37)20-6-3-7-21(35-20)23(38)36-19-5-2-1-4-18(19)14-11-32-13-33-12-14/h1-13H,(H,34,37)(H,36,38)
InChIKeyBICQFNAYTFSLII-UHFFFAOYSA-N
XLogP6.08
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.42
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-N-bis(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-dicarboxamide
CID 30772806
2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide
CID 122364413
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115623
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
N-[3-methyl-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119049246
N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 58337690
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109315551

Frequently Asked Questions

What is the IUPAC name of 6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide (CID 169268201) is 6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(=O)Nc2ccccc2-c2cncnc2)n1.
What is the InChIKey of 6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is BICQFNAYTFSLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F6N5O2/c26-24(27,28)15-8-16(25(29,30)31)10-17(9-15)34-22(37)20-6-3-7-21(35-20)23(38)36-19-5-2-1-4-18(19)14-11-32-13-33-12-14/h1-13H,(H,34,37)(H,36,38).
What are the key properties of 6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide?
6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 531.42 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 169268201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).