(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid

C19H17F5N6O3 — CID 167571249

IUPAC(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid
SMILESC[C@]1(c2nc(N)ccc2F)N=C(N)O[C@H](C(F)(F)F)[C@@H]1F.Cc1cc(C#N)cnc1C(=O)O
InChIInChI=1S/C11H11F5N4O.C8H6N2O2/c1-10(7-4(12)2-3-5(17)19-7)6(13)8(11(14,15)16)21-9(18)20-10;1-5-2-6(3-9)4-10-7(5)8(11)12/h2-3,6,8H,1H3,(H2,17,19)(H2,18,20);2,4H,1H3,(H,11,12)/t6-,8-,10-;/m0./s1
InChIKeyFXYCABZIOKENMV-PXXMOAEPSA-N
MW472.37 g/mol
LogP2.59
Rot. Bonds2

About (4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid

(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid (PubChem CID 167571249) has the molecular formula C19H17F5N6O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is (4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid
PubChem CID167571249
Molecular FormulaC19H17F5N6O3
Molecular Weight472.37 g/mol
Exact Mass472.13
IUPAC Name(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid
SMILESC[C@]1(c2nc(N)ccc2F)N=C(N)O[C@H](C(F)(F)F)[C@@H]1F.Cc1cc(C#N)cnc1C(=O)O
InChIInChI=1S/C11H11F5N4O.C8H6N2O2/c1-10(7-4(12)2-3-5(17)19-7)6(13)8(11(14,15)16)21-9(18)20-10;1-5-2-6(3-9)4-10-7(5)8(11)12/h2-3,6,8H,1H3,(H2,17,19)(H2,18,20);2,4H,1H3,(H,11,12)/t6-,8-,10-;/m0./s1
InChIKeyFXYCABZIOKENMV-PXXMOAEPSA-N
XLogP2.59
TPSA160.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-Cyano-3-methyl-pyridine-2-carboxylic acid [6-((3R,6R)-5-amino-3,6-dimethyl-6-trifluoromethyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-5-fluoro-pyridin-2-yl]-amide
CID 70356221
5-Cyano-3-methyl-pyridine-2-carboxylic acid {6-[(R)-2-amino-5,5-difluoro-4-(2-methoxy-ethyl)-5,6-dihydro-4H-[1,3]oxazin-4-yl]-5-fluoro-pyridin-2-yl}-amide
CID 71273947
N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoropyridin-2-yl]-5-cyanopyridine-2-carboxamide
CID 71529465
N-(6-((4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl)-5-fluoropyridin-2-yl)-5-cyanopicolinamide
CID 77461103
N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 70355933
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]pyridin-2-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 70356349
5-Cyano-3-methyl-pyridine-2-carboxylic acid [6-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-5-fluoro-pyridin-2-yl]-amide
CID 71273895
N-(6-((4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl)-5-fluoropyridin-2-yl)-5-cyano-3-methylpicolinamide
CID 78321126
N-[6-[(4S)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoropyridin-2-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 71273877
5-Cyano-6-[2-[6-[ethyl(methyl)amino]-3-pyridinyl]ethenyl]pyridine-2-carboxylic acid
CID 127265795
N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 57519750
N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]pyridin-2-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 57524050

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid?
The IUPAC name of (4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid (CID 167571249) is (4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid.
What is the SMILES notation for (4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid?
The canonical SMILES for (4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid is C[C@]1(c2nc(N)ccc2F)N=C(N)O[C@H](C(F)(F)F)[C@@H]1F.Cc1cc(C#N)cnc1C(=O)O.
What is the InChIKey of (4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid?
The InChIKey is FXYCABZIOKENMV-PXXMOAEPSA-N. The full InChI is InChI=1S/C11H11F5N4O.C8H6N2O2/c1-10(7-4(12)2-3-5(17)19-7)6(13)8(11(14,15)16)21-9(18)20-10;1-5-2-6(3-9)4-10-7(5)8(11)12/h2-3,6,8H,1H3,(H2,17,19)(H2,18,20);2,4H,1H3,(H,11,12)/t6-,8-,10-;/m0./s1.
What are the key properties of (4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid?
(4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid has a molecular weight of 472.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S)-4-(6-amino-3-fluoro-2-pyridinyl)-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine;5-cyano-3-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 167571249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).