3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C19H17F7N6O2 — CID 166625322

IUPAC3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@@]1(c2nc(NC(=O)c3ncc(C(F)(F)F)cc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H17F7N6O2/c1-16(7-34-17(2,15(28)32-16)19(24,25)26)13-9(20)3-4-11(30-13)31-14(33)12-10(27)5-8(6-29-12)18(21,22)23/h3-6H,7,27H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
InChIKeyRNLNFTQJIYFRSH-DLBZAZTESA-N
MW494.37 g/mol
LogP3.39
Rot. Bonds3

About 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 166625322) has the molecular formula C19H17F7N6O2 and a molecular weight of 494.37 g/mol. Its IUPAC name is 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID166625322
Molecular FormulaC19H17F7N6O2
Molecular Weight494.37 g/mol
Exact Mass494.13
IUPAC Name3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@@]1(c2nc(NC(=O)c3ncc(C(F)(F)F)cc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H17F7N6O2/c1-16(7-34-17(2,15(28)32-16)19(24,25)26)13-9(20)3-4-11(30-13)31-14(33)12-10(27)5-8(6-29-12)18(21,22)23/h3-6H,7,27H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
InChIKeyRNLNFTQJIYFRSH-DLBZAZTESA-N
XLogP3.39
TPSA128.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.37
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 166625322) is 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide is C[C@@]1(c2nc(NC(=O)c3ncc(C(F)(F)F)cc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1.
What is the InChIKey of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RNLNFTQJIYFRSH-DLBZAZTESA-N. The full InChI is InChI=1S/C19H17F7N6O2/c1-16(7-34-17(2,15(28)32-16)19(24,25)26)13-9(20)3-4-11(30-13)31-14(33)12-10(27)5-8(6-29-12)18(21,22)23/h3-6H,7,27H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1.
What are the key properties of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 494.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166625322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).