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

C21H15F5N4O2 — CID 59399104

IUPAC6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NC(=O)C(F)(F)F)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C21H15F5N4O2/c1-20(2,14-7-3-5-12(27-14)11-9-10-16(22)29-17(11)23)15-8-4-6-13(28-15)18(31)30-19(32)21(24,25)26/h3-10H,1-2H3,(H,30,31,32)
InChIKeyPARSROQGUKUBFS-UHFFFAOYSA-N
MW450.37 g/mol
LogP3.96
Rot. Bonds4

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

6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide (PubChem CID 59399104) has the molecular formula C21H15F5N4O2 and a molecular weight of 450.37 g/mol. Its IUPAC name is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide
PubChem CID59399104
Molecular FormulaC21H15F5N4O2
Molecular Weight450.37 g/mol
Exact Mass450.11
IUPAC Name6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NC(=O)C(F)(F)F)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C21H15F5N4O2/c1-20(2,14-7-3-5-12(27-14)11-9-10-16(22)29-17(11)23)15-8-4-6-13(28-15)18(31)30-19(32)21(24,25)26/h3-10H,1-2H3,(H,30,31,32)
InChIKeyPARSROQGUKUBFS-UHFFFAOYSA-N
XLogP3.96
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 71087365
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)piperidin-1-yl]methyl]-4-fluorophenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 72704047
N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118521897
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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide?
The IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide (CID 59399104) is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide is CC(C)(c1cccc(C(=O)NC(=O)C(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-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide?
The InChIKey is PARSROQGUKUBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N4O2/c1-20(2,14-7-3-5-12(27-14)11-9-10-16(22)29-17(11)23)15-8-4-6-13(28-15)18(31)30-19(32)21(24,25)26/h3-10H,1-2H3,(H,30,31,32).
What are the key properties of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide?
6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide has a molecular weight of 450.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-(2,2,2-trifluoroacetyl)pyridine-2-carboxamide is sourced from PubChem (CID 59399104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).