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

C19H15ClF4N6O2 — CID 70355131

IUPACN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILESC[C@@]1(c2nc(NC(=O)c3ncc(C#N)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1
InChIKeyLHTZVIDMVHFLLF-ZWKOTPCHSA-N
MW470.81 g/mol
LogP3.32
Rot. Bonds3

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

N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide (PubChem CID 70355131) has the molecular formula C19H15ClF4N6O2 and a molecular weight of 470.81 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]-3-chloro-5-cyanopyridine-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]-3-chloro-5-cyanopyridine-2-carboxamide
PubChem CID70355131
Molecular FormulaC19H15ClF4N6O2
Molecular Weight470.81 g/mol
Exact Mass470.09
IUPAC NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILESC[C@@]1(c2nc(NC(=O)c3ncc(C#N)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1
InChIKeyLHTZVIDMVHFLLF-ZWKOTPCHSA-N
XLogP3.32
TPSA126.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.81
LogP ≤ 53.32
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]-3-chloro-5-cyanopyridine-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]-3-chloro-5-cyanopyridine-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]-3-chloro-5-cyanopyridine-2-carboxamide (CID 70355131) is N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-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]-3-chloro-5-cyanopyridine-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]-3-chloro-5-cyanopyridine-2-carboxamide is C[C@@]1(c2nc(NC(=O)c3ncc(C#N)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=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]-3-chloro-5-cyanopyridine-2-carboxamide?
The InChIKey is LHTZVIDMVHFLLF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/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]-3-chloro-5-cyanopyridine-2-carboxamide?
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide has a molecular weight of 470.81 g/mol, XLogP of 3.32, 3 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]-3-chloro-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 70355131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).