6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide

C20H15F5N4O — CID 59399396

IUPAC6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NC(F)(F)F)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C20H15F5N4O/c1-19(2,15-8-4-6-13(27-15)18(30)29-20(23,24)25)14-7-3-5-12(26-14)11-9-10-16(21)28-17(11)22/h3-10H,1-2H3,(H,29,30)
InChIKeyKJTYJKZHEUIREU-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.39
Rot. Bonds4

About 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide

6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 59399396) has the molecular formula C20H15F5N4O and a molecular weight of 422.36 g/mol. Its IUPAC name is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID59399396
Molecular FormulaC20H15F5N4O
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC Name6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NC(F)(F)F)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C20H15F5N4O/c1-19(2,15-8-4-6-13(27-15)18(30)29-20(23,24)25)14-7-3-5-12(26-14)11-9-10-16(21)28-17(11)22/h3-10H,1-2H3,(H,29,30)
InChIKeyKJTYJKZHEUIREU-UHFFFAOYSA-N
XLogP4.39
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
2-Fluoranyl-~{n}-[2-(4-Fluorophenyl)-6-Methyl-Pyridin-3-Yl]-4-(Trifluoromethyl)benzamide
CID 123131777
(3R)-3-amino-1-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70695076
(3R)-3-amino-1-[4-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70690893
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide
CID 71087830
6-(4-Fluoro-benzyl)-pyridine-2-carboxylic acid ((R)-2,2,2-trifluoro-1-pyridin-2-yl-ethyl)-amide
CID 71105686
6-(4-Fluoro-benzyl)-pyridine-2-carboxylic acid ((S)-3,3-dimethyl-1-methylcarbamoyl-butyl)-amide
CID 71105692
N-[3-[[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118521917
5-(3-methylpyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)picolinamide
CID 44416441
5-(Aminomethyl)-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide
CID 53323865
N,N'-Bis[4-(trifluoromethyl)phenyl]-2,6-pyridinedicarboxamide
CID 91406755
N,N'-bis[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 1028214

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide (CID 59399396) is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(c1cccc(C(=O)NC(F)(F)F)n1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is KJTYJKZHEUIREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4O/c1-19(2,15-8-4-6-13(27-15)18(30)29-20(23,24)25)14-7-3-5-12(26-14)11-9-10-16(21)28-17(11)22/h3-10H,1-2H3,(H,29,30).
What are the key properties of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide?
6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 422.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 59399396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).