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

C20H21F4N5O3 — CID 70356220

IUPACN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)n2)c(C)c1
InChIInChI=1S/C20H21F4N5O3/c1-10-7-11(31-4)8-26-14(10)16(30)28-13-6-5-12(21)15(27-13)18(2)9-32-19(3,17(25)29-18)20(22,23)24/h5-8H,9H2,1-4H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
InChIKeyPWIJFDYDPIMSCV-RBUKOAKNSA-N
MW455.41 g/mol
LogP3.11
Rot. Bonds4

About N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methoxy-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-methoxy-3-methylpyridine-2-carboxamide (PubChem CID 70356220) has the molecular formula C20H21F4N5O3 and a molecular weight of 455.41 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-methoxy-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-methoxy-3-methylpyridine-2-carboxamide
PubChem CID70356220
Molecular FormulaC20H21F4N5O3
Molecular Weight455.41 g/mol
Exact Mass455.16
IUPAC NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methoxy-3-methylpyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)n2)c(C)c1
InChIInChI=1S/C20H21F4N5O3/c1-10-7-11(31-4)8-26-14(10)16(30)28-13-6-5-12(21)15(27-13)18(2)9-32-19(3,17(25)29-18)20(22,23)24/h5-8H,9H2,1-4H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
InChIKeyPWIJFDYDPIMSCV-RBUKOAKNSA-N
XLogP3.11
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 53.11
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-methoxy-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-methoxy-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-methoxy-3-methylpyridine-2-carboxamide (CID 70356220) is N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methoxy-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-methoxy-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-methoxy-3-methylpyridine-2-carboxamide is COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)n2)c(C)c1.
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-methoxy-3-methylpyridine-2-carboxamide?
The InChIKey is PWIJFDYDPIMSCV-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H21F4N5O3/c1-10-7-11(31-4)8-26-14(10)16(30)28-13-6-5-12(21)15(27-13)18(2)9-32-19(3,17(25)29-18)20(22,23)24/h5-8H,9H2,1-4H3,(H2,25,29)(H,27,28,30)/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-methoxy-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-methoxy-3-methylpyridine-2-carboxamide has a molecular weight of 455.41 g/mol, XLogP of 3.11, 4 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-methoxy-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 70356220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).