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

C20H19F3N6O3 — CID 71273947

IUPACN-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide
SMILESCOCC[C@]1(c2nc(NC(=O)c3ncc(C#N)cc3C)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
InChIKeyPSPGXNMAHYIESQ-LJQANCHMSA-N
MW448.41 g/mol
LogP2.26
Rot. Bonds6

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

N-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide (PubChem CID 71273947) has the molecular formula C20H19F3N6O3 and a molecular weight of 448.41 g/mol. Its IUPAC name is N-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide
PubChem CID71273947
Molecular FormulaC20H19F3N6O3
Molecular Weight448.41 g/mol
Exact Mass448.15
IUPAC NameN-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide
SMILESCOCC[C@]1(c2nc(NC(=O)c3ncc(C#N)cc3C)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
InChIKeyPSPGXNMAHYIESQ-LJQANCHMSA-N
XLogP2.26
TPSA135.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-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-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide (CID 71273947) is N-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide is COCC[C@]1(c2nc(NC(=O)c3ncc(C#N)cc3C)ccc2F)N=C(N)OCC1(F)F.
What is the InChIKey of N-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide?
The InChIKey is PSPGXNMAHYIESQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1.
What are the key properties of N-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide?
N-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide has a molecular weight of 448.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4R)-2-amino-5,5-difluoro-4-(2-methoxyethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 71273947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).