3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid

C27H25F5N8O4 — CID 159082988

IUPAC3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid
SMILESC[C@@]1(c2cc(NC(=O)c3ncc(C(F)F)cc3N)ccc2F)COC(CF)(CF)C(N)=N1.N#Cc1cnc(C(=O)O)c(N)c1
InChIInChI=1S/C20H20F5N5O2.C7H5N3O2/c1-19(9-32-20(7-21,8-22)18(27)30-19)12-5-11(2-3-13(12)23)29-17(31)15-14(26)4-10(6-28-15)16(24)25;8-2-4-1-5(9)6(7(11)12)10-3-4/h2-6,16H,7-9,26H2,1H3,(H2,27,30)(H,29,31);1,3H,9H2,(H,11,12)/t19-;/m0./s1
InChIKeyKBBZCKPYULEILP-FYZYNONXSA-N
MW620.54 g/mol
LogP3.51
Rot. Bonds7

About 3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid

3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid (PubChem CID 159082988) has the molecular formula C27H25F5N8O4 and a molecular weight of 620.54 g/mol. Its IUPAC name is 3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid
PubChem CID159082988
Molecular FormulaC27H25F5N8O4
Molecular Weight620.54 g/mol
Exact Mass620.19
IUPAC Name3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid
SMILESC[C@@]1(c2cc(NC(=O)c3ncc(C(F)F)cc3N)ccc2F)COC(CF)(CF)C(N)=N1.N#Cc1cnc(C(=O)O)c(N)c1
InChIInChI=1S/C20H20F5N5O2.C7H5N3O2/c1-19(9-32-20(7-21,8-22)18(27)30-19)12-5-11(2-3-13(12)23)29-17(31)15-14(26)4-10(6-28-15)16(24)25;8-2-4-1-5(9)6(7(11)12)10-3-4/h2-6,16H,7-9,26H2,1H3,(H2,27,30)(H,29,31);1,3H,9H2,(H,11,12)/t19-;/m0./s1
InChIKeyKBBZCKPYULEILP-FYZYNONXSA-N
XLogP3.51
TPSA215.62 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.54
LogP ≤ 53.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid with MolForge

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Related Compounds

NB-360
CID 66665322
N-[3-[(3R)-5-Amino-3-(difluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methyl-2-pyridinecarboxamide
CID 58118873
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 66665524
CID 70374391
CID 70374391
N-[3-[(3R)-5-amino-3,6,6-tris(fluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 70374550
N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 70374972
N-[3-[(3R)-5-amino-3-(difluoromethyl)-1,9-dioxa-4-azaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 145953996
N-[3-[(6R)-8-amino-6-(difluoromethyl)-4-oxa-7-azaspiro[2.5]oct-7-en-6-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 145962826
N-[3-[(3R)-5-amino-3-(difluoromethyl)-6,6-bis(fluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 145963458
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyrazine-2-carboxamide
CID 166626588
N-[3-[5-amino-3-(difluoromethyl)-6,6-dimethyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 50912935
((2R,5R)-5-{5-[(5-Cyano-3-methyl-pyridine-2-carbonyl)-amino]-2-fluoro-phenyl}-2,5-dimethyl-2-trifluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester
CID 66665686

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid?
The IUPAC name of 3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid (CID 159082988) is 3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid is C[C@@]1(c2cc(NC(=O)c3ncc(C(F)F)cc3N)ccc2F)COC(CF)(CF)C(N)=N1.N#Cc1cnc(C(=O)O)c(N)c1.
What is the InChIKey of 3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid?
The InChIKey is KBBZCKPYULEILP-FYZYNONXSA-N. The full InChI is InChI=1S/C20H20F5N5O2.C7H5N3O2/c1-19(9-32-20(7-21,8-22)18(27)30-19)12-5-11(2-3-13(12)23)29-17(31)15-14(26)4-10(6-28-15)16(24)25;8-2-4-1-5(9)6(7(11)12)10-3-4/h2-6,16H,7-9,26H2,1H3,(H2,27,30)(H,29,31);1,3H,9H2,(H,11,12)/t19-;/m0./s1.
What are the key properties of 3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid?
3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid has a molecular weight of 620.54 g/mol, XLogP of 3.51, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(3R)-5-amino-6,6-bis(fluoromethyl)-3-methyl-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethyl)pyridine-2-carboxamide;3-amino-5-cyanopyridine-2-carboxylic acid is sourced from PubChem (CID 159082988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).