6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide

C22H18F5N3O — CID 59342220

IUPAC6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(C(C)(C)c2cccc(-c3ccc(F)c(C(F)(F)F)c3F)n2)n1
InChIInChI=1S/C22H18F5N3O/c1-21(2,17-9-5-7-15(30-17)20(31)28-3)16-8-4-6-14(29-16)12-10-11-13(23)18(19(12)24)22(25,26)27/h4-11H,1-3H3,(H,28,31)
InChIKeyYSRVUPAXIAEFOJ-UHFFFAOYSA-N
MW435.40 g/mol
LogP5.13
Rot. Bonds4

About 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide

6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 59342220) has the molecular formula C22H18F5N3O and a molecular weight of 435.40 g/mol. Its IUPAC name is 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID59342220
Molecular FormulaC22H18F5N3O
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC Name6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(C(C)(C)c2cccc(-c3ccc(F)c(C(F)(F)F)c3F)n2)n1
InChIInChI=1S/C22H18F5N3O/c1-21(2,17-9-5-7-15(30-17)20(31)28-3)16-8-4-6-14(29-16)12-10-11-13(23)18(19(12)24)22(25,26)27/h4-11H,1-3H3,(H,28,31)
InChIKeyYSRVUPAXIAEFOJ-UHFFFAOYSA-N
XLogP5.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
2-N,6-N-bis(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 1010589
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
N-[2-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]phenyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 118374760
2-Fluoranyl-~{n}-[2-(4-Fluorophenyl)-6-Methyl-Pyridin-3-Yl]-4-(Trifluoromethyl)benzamide
CID 123131777
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
CID 10414428
5-(aminomethyl)-N-cyclopropyl-4-(4-fluorophenyl)-6-methylpicolinamide
CID 51356957
(5-(Aminomethyl)-4-(4-fluorophenyl)-6-methylpyridin-2-yl)(pyrrolidin-1-yl)methanone
CID 51356958
5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpicolinamide
CID 51356962
(3R)-3-amino-1-[4-(6-fluoropyridine-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70695076
6-[1-[4-(Trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]pyridine-2-carboxamide
CID 118255633
6-[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carboxamide
CID 118255648

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide (CID 59342220) is 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc(C(C)(C)c2cccc(-c3ccc(F)c(C(F)(F)F)c3F)n2)n1.
What is the InChIKey of 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is YSRVUPAXIAEFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F5N3O/c1-21(2,17-9-5-7-15(30-17)20(31)28-3)16-8-4-6-14(29-16)12-10-11-13(23)18(19(12)24)22(25,26)27/h4-11H,1-3H3,(H,28,31).
What are the key properties of 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide?
6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 435.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 59342220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).