(3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate

C20H18F4N6O3 — CID 118193156

IUPAC(3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate
SMILESCC1(c2cc(NC(=O)Oc3ncc(C#N)cc3N)ccc2F)COC(C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C20H18F4N6O3/c1-18(9-32-19(2,16(27)30-18)20(22,23)24)12-6-11(3-4-13(12)21)29-17(31)33-15-14(26)5-10(7-25)8-28-15/h3-6,8H,9,26H2,1-2H3,(H2,27,30)(H,29,31)
InChIKeyAOVLSHLCCMNHIT-UHFFFAOYSA-N
MW466.40 g/mol
LogP3.21
Rot. Bonds3

About (3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate

(3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate (PubChem CID 118193156) has the molecular formula C20H18F4N6O3 and a molecular weight of 466.40 g/mol. Its IUPAC name is (3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate.

Molecular Properties

Compound Name(3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate
PubChem CID118193156
Molecular FormulaC20H18F4N6O3
Molecular Weight466.40 g/mol
Exact Mass466.14
IUPAC Name(3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate
SMILESCC1(c2cc(NC(=O)Oc3ncc(C#N)cc3N)ccc2F)COC(C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C20H18F4N6O3/c1-18(9-32-19(2,16(27)30-18)20(22,23)24)12-6-11(3-4-13(12)21)29-17(31)33-15-14(26)5-10(7-25)8-28-15/h3-6,8H,9,26H2,1-2H3,(H2,27,30)(H,29,31)
InChIKeyAOVLSHLCCMNHIT-UHFFFAOYSA-N
XLogP3.21
TPSA148.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

[3-chloro-5-(difluoromethyl)-2-pyridinyl] N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate
CID 118193190
(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-prop-2-ynoxypyrazin-2-yl) N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate
CID 118193171
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-2-chloro-6-methoxypyridine-3-carboxamide
CID 88593875
[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
(3-chloro-5-cyano-2-pyridinyl) N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate
CID 118193169
(3R,6R)-3-[2-fluoro-5-[(3-methoxy-2-pyridinyl)amino]phenyl]-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine
CID 71550223
[5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
CID 118936386
[5-(difluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
CID 118936441
[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
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
N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5λ6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-cyano-3-(difluoromethyl)pyridine-2-carboxamide
CID 85471907

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate?
The IUPAC name of (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) is (3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate.
What is the SMILES notation for (3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate?
The canonical SMILES for (3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate is CC1(c2cc(NC(=O)Oc3ncc(C#N)cc3N)ccc2F)COC(C)(C(F)(F)F)C(N)=N1.
What is the InChIKey of (3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate?
The InChIKey is AOVLSHLCCMNHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N6O3/c1-18(9-32-19(2,16(27)30-18)20(22,23)24)12-6-11(3-4-13(12)21)29-17(31)33-15-14(26)5-10(7-25)8-28-15/h3-6,8H,9,26H2,1-2H3,(H2,27,30)(H,29,31).
What are the key properties of (3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate?
(3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate has a molecular weight of 466.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-cyano-2-pyridinyl) N-[3-[5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]carbamate is sourced from PubChem (CID 118193156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).