N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide

C20H17F4N5O — CID 118326738

IUPACN-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESC[C@@]1(F)CC(F)(F)[C@@](C)(c2cccc(NC(=O)c3ccc(C#N)cn3)c2F)N=C1N
InChIInChI=1S/C20H17F4N5O/c1-18(22)10-20(23,24)19(2,29-17(18)26)12-4-3-5-13(15(12)21)28-16(30)14-7-6-11(8-25)9-27-14/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19-/m1/s1
InChIKeyYMJQLZNLNXLUKK-RTBURBONSA-N
MW419.38 g/mol
LogP3.68
Rot. Bonds3

About N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide

N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide (PubChem CID 118326738) has the molecular formula C20H17F4N5O and a molecular weight of 419.38 g/mol. Its IUPAC name is N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide
PubChem CID118326738
Molecular FormulaC20H17F4N5O
Molecular Weight419.38 g/mol
Exact Mass419.14
IUPAC NameN-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESC[C@@]1(F)CC(F)(F)[C@@](C)(c2cccc(NC(=O)c3ccc(C#N)cn3)c2F)N=C1N
InChIInChI=1S/C20H17F4N5O/c1-18(22)10-20(23,24)19(2,29-17(18)26)12-4-3-5-13(15(12)21)28-16(30)14-7-6-11(8-25)9-27-14/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19-/m1/s1
InChIKeyYMJQLZNLNXLUKK-RTBURBONSA-N
XLogP3.68
TPSA104.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-methoxypyrimidine-2-carboxamide
CID 118326715
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-1,4-dimethylimidazole-2-carboxamide
CID 118326730
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide
CID 118307969
N-[3-(6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl)-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 123530631
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6-oxo-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 67235585
N-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-2-fluorophenyl]-5-(1,3-thiazol-2-yl)pyridine-2-carboxamide;formic acid
CID 162090336
N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654
N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 70355899
N-[3-[(4S)-2-amino-5,5-difluoro-4-(fluoromethyl)-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 71112644
N-[(3R)-2'-amino-5',5'-difluorospiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-5-yl]-5-cyanopyridine-2-carboxamide
CID 71059402

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide (CID 118326738) is N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide is C[C@@]1(F)CC(F)(F)[C@@](C)(c2cccc(NC(=O)c3ccc(C#N)cn3)c2F)N=C1N.
What is the InChIKey of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is YMJQLZNLNXLUKK-RTBURBONSA-N. The full InChI is InChI=1S/C20H17F4N5O/c1-18(22)10-20(23,24)19(2,29-17(18)26)12-4-3-5-13(15(12)21)28-16(30)14-7-6-11(8-25)9-27-14/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19-/m1/s1.
What are the key properties of N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide?
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 419.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 118326738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).