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

C20H18F4N6O2 — CID 70355933

IUPACN-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide
SMILESCc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1
InChIInChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19-/m1/s1
InChIKeyMTNQDQUYJFDVLS-RTBURBONSA-N
MW450.40 g/mol
LogP2.97
Rot. Bonds3

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

N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide (PubChem CID 70355933) has the molecular formula C20H18F4N6O2 and a molecular weight of 450.40 g/mol. Its IUPAC name is N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide
PubChem CID70355933
Molecular FormulaC20H18F4N6O2
Molecular Weight450.40 g/mol
Exact Mass450.14
IUPAC NameN-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide
SMILESCc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1
InChIInChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19-/m1/s1
InChIKeyMTNQDQUYJFDVLS-RTBURBONSA-N
XLogP2.97
TPSA126.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide (CID 70355933) is N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide is Cc1cc(C#N)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-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide?
The InChIKey is MTNQDQUYJFDVLS-RTBURBONSA-N. The full InChI is InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19-/m1/s1.
What are the key properties of N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide?
N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide has a molecular weight of 450.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 70355933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).