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

C19H20F5N7O3 — CID 166636413

IUPAC3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
SMILESC[C@@]1(c2nc(NC(=O)c3ncc(OCCF)nc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H20F5N7O3/c1-17(8-34-18(2,16(26)31-17)19(22,23)24)13-9(21)3-4-10(28-13)29-15(32)12-14(25)30-11(7-27-12)33-6-5-20/h3-4,7H,5-6,8H2,1-2H3,(H2,25,30)(H2,26,31)(H,28,29,32)/t17-,18+/m0/s1
InChIKeyFLQJNXIYQVZXEY-ZWKOTPCHSA-N
MW489.41 g/mol
LogP2.12
Rot. Bonds6

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-(2-fluoroethoxy)pyrazine-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-(2-fluoroethoxy)pyrazine-2-carboxamide (PubChem CID 166636413) has the molecular formula C19H20F5N7O3 and a molecular weight of 489.41 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-(2-fluoroethoxy)pyrazine-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-(2-fluoroethoxy)pyrazine-2-carboxamide
PubChem CID166636413
Molecular FormulaC19H20F5N7O3
Molecular Weight489.41 g/mol
Exact Mass489.15
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-(2-fluoroethoxy)pyrazine-2-carboxamide
SMILESC[C@@]1(c2nc(NC(=O)c3ncc(OCCF)nc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H20F5N7O3/c1-17(8-34-18(2,16(26)31-17)19(22,23)24)13-9(21)3-4-10(28-13)29-15(32)12-14(25)30-11(7-27-12)33-6-5-20/h3-4,7H,5-6,8H2,1-2H3,(H2,25,30)(H2,26,31)(H,28,29,32)/t17-,18+/m0/s1
InChIKeyFLQJNXIYQVZXEY-ZWKOTPCHSA-N
XLogP2.12
TPSA150.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.41
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-(2-fluoroethoxy)pyrazine-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-(2-fluoroethoxy)pyrazine-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-(2-fluoroethoxy)pyrazine-2-carboxamide (CID 166636413) 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-(2-fluoroethoxy)pyrazine-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-(2-fluoroethoxy)pyrazine-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-(2-fluoroethoxy)pyrazine-2-carboxamide is C[C@@]1(c2nc(NC(=O)c3ncc(OCCF)nc3N)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-(2-fluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is FLQJNXIYQVZXEY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H20F5N7O3/c1-17(8-34-18(2,16(26)31-17)19(22,23)24)13-9(21)3-4-10(28-13)29-15(32)12-14(25)30-11(7-27-12)33-6-5-20/h3-4,7H,5-6,8H2,1-2H3,(H2,25,30)(H2,26,31)(H,28,29,32)/t17-,18+/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-(2-fluoroethoxy)pyrazine-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-(2-fluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 489.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 9 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-(2-fluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 166636413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).