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

C19H17F3N6O2 — CID 70355899

IUPACN-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-cyanopyridine-2-carboxamide
SMILESC[C@]1(c2cccc(NC(=O)c3ccc(C#N)cn3)n2)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18-/m1/s1
InChIKeyQSCBNUCKFXAIJL-QZTJIDSGSA-N
MW418.38 g/mol
LogP2.52
Rot. Bonds3

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

N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-cyanopyridine-2-carboxamide (PubChem CID 70355899) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-cyanopyridine-2-carboxamide
PubChem CID70355899
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC NameN-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-cyanopyridine-2-carboxamide
SMILESC[C@]1(c2cccc(NC(=O)c3ccc(C#N)cn3)n2)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18-/m1/s1
InChIKeyQSCBNUCKFXAIJL-QZTJIDSGSA-N
XLogP2.52
TPSA126.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.52
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]-2-pyridinyl]-5-cyanopyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
CID 118936197
(3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate
CID 118193156
N-[6-[(4R,6R)-2-amino-4,6-dimethyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 126755346
N-[6-[(4S,6S)-2-amino-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 90375310
N-[6-[(4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 86295797
N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 123728009
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-2-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 118326738
N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 104535200
N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 123238640
[3-chloro-5-(trifluoromethyl)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
CID 118936509
N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide
CID 63723338
[3-chloro-5-(difluoromethoxy)-2-pyridinyl] N-[6-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
CID 118936470

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]-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-cyanopyridine-2-carboxamide (CID 70355899) is N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-cyanopyridine-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]-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-cyanopyridine-2-carboxamide is C[C@]1(c2cccc(NC(=O)c3ccc(C#N)cn3)n2)CO[C@@](C)(C(F)(F)F)C(N)=N1.
What is the InChIKey of N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is QSCBNUCKFXAIJL-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18-/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]-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
N-[6-[(3S,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 2.52, 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]-2-pyridinyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 70355899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).