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

C20H19F6N5O3 — CID 88602949

IUPACN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
SMILESCc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1
InChIInChI=1S/C20H19F6N5O3/c1-9-6-10(34-17(22)23)7-28-13(9)15(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,16(27)31-18)20(24,25)26/h4-7,17H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1
InChIKeyIEGJECJTLOSIQV-RBUKOAKNSA-N
MW491.39 g/mol
LogP3.70
Rot. Bonds5

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

N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide (PubChem CID 88602949) has the molecular formula C20H19F6N5O3 and a molecular weight of 491.39 g/mol. Its IUPAC name is N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
PubChem CID88602949
Molecular FormulaC20H19F6N5O3
Molecular Weight491.39 g/mol
Exact Mass491.14
IUPAC NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
SMILESCc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1
InChIInChI=1S/C20H19F6N5O3/c1-9-6-10(34-17(22)23)7-28-13(9)15(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,16(27)31-18)20(24,25)26/h4-7,17H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1
InChIKeyIEGJECJTLOSIQV-RBUKOAKNSA-N
XLogP3.70
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide (CID 88602949) is N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide is Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1.
What is the InChIKey of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide?
The InChIKey is IEGJECJTLOSIQV-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H19F6N5O3/c1-9-6-10(34-17(22)23)7-28-13(9)15(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,16(27)31-18)20(24,25)26/h4-7,17H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1.
What are the key properties of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide?
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide has a molecular weight of 491.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 88602949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).