2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide

C25H15F12N3O2 — CID 122364413

IUPAC2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H15F12N3O2/c1-11(12-5-13(22(26,27)28)7-14(6-12)23(29,30)31)38-20(41)18-3-2-4-19(40-18)21(42)39-17-9-15(24(32,33)34)8-16(10-17)25(35,36)37/h2-11H,1H3,(H,38,41)(H,39,42)/t11-/m0/s1
InChIKeyGLXFEIFJNJBYFS-NSHDSACASA-N
MW617.39 g/mol
LogP7.90
Rot. Bonds5

About 2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide

2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide (PubChem CID 122364413) has the molecular formula C25H15F12N3O2 and a molecular weight of 617.39 g/mol. Its IUPAC name is 2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide
PubChem CID122364413
Molecular FormulaC25H15F12N3O2
Molecular Weight617.39 g/mol
Exact Mass617.10
IUPAC Name2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H15F12N3O2/c1-11(12-5-13(22(26,27)28)7-14(6-12)23(29,30)31)38-20(41)18-3-2-4-19(40-18)21(42)39-17-9-15(24(32,33)34)8-16(10-17)25(35,36)37/h2-11H,1H3,(H,38,41)(H,39,42)/t11-/m0/s1
InChIKeyGLXFEIFJNJBYFS-NSHDSACASA-N
XLogP7.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.39
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67508804
6-N-[3,5-bis(trifluoromethyl)phenyl]-2-N-(2-pyrimidin-5-ylphenyl)pyridine-2,6-dicarboxamide
CID 169268201
2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62788576
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171677155
N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511055

Frequently Asked Questions

What is the IUPAC name of 2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide (CID 122364413) is 2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide is C[C@H](NC(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide?
The InChIKey is GLXFEIFJNJBYFS-NSHDSACASA-N. The full InChI is InChI=1S/C25H15F12N3O2/c1-11(12-5-13(22(26,27)28)7-14(6-12)23(29,30)31)38-20(41)18-3-2-4-19(40-18)21(42)39-17-9-15(24(32,33)34)8-16(10-17)25(35,36)37/h2-11H,1H3,(H,38,41)(H,39,42)/t11-/m0/s1.
What are the key properties of 2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide?
2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide has a molecular weight of 617.39 g/mol, XLogP of 7.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 122364413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).