N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid

C26H23F6N5O5 — CID 88960050

IUPACN-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.O=C(O)C(F)(F)F
InChIInChI=1S/C24H22F3N5O3.C2HF3O2/c25-24(26,27)17-4-1-3-16(15-17)18-7-8-19-22(28-18)32(11-14-35-19)23(33)30-20-5-2-6-21(29-20)31-9-12-34-13-10-31;3-2(4,5)1(6)7/h1-8,15H,9-14H2,(H,29,30,33);(H,6,7)
InChIKeySJDSHFQPIBNRPU-UHFFFAOYSA-N
MW599.49 g/mol
LogP5.06
Rot. Bonds3

About N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid

N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 88960050) has the molecular formula C26H23F6N5O5 and a molecular weight of 599.49 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID88960050
Molecular FormulaC26H23F6N5O5
Molecular Weight599.49 g/mol
Exact Mass599.16
IUPAC NameN-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.O=C(O)C(F)(F)F
InChIInChI=1S/C24H22F3N5O3.C2HF3O2/c25-24(26,27)17-4-1-3-16(15-17)18-7-8-19-22(28-18)32(11-14-35-19)23(33)30-20-5-2-6-21(29-20)31-9-12-34-13-10-31;3-2(4,5)1(6)7/h1-8,15H,9-14H2,(H,29,30,33);(H,6,7)
InChIKeySJDSHFQPIBNRPU-UHFFFAOYSA-N
XLogP5.06
TPSA117.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.49
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

6-[[[(3R,6S)-6-[(1S)-1-amino-2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129956
6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592010
6-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592090
6-[(2R,5R)-5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592092
3-[4-(Morpholin-4-ylmethyl)phenyl]-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid
CID 155516610
3-[3-(Morpholin-4-ylmethyl)phenyl]-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid
CID 155520959
3-[[5-[2-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 155541264
3-(3-Fluorophenyl)-3-[[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]propanoic acid
CID 155554134
(R)-6-(3-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 66996568
US11141410, Example 92
CID 129248991
6-[[[1-[(6-fluoro-12-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 134131503
6-[(5R)-5-[2-[[3-[6-(1-methylazetidin-3-yl)oxy-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156015599

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 88960050) is N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.O=C(O)C(F)(F)F.
What is the InChIKey of N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SJDSHFQPIBNRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3.C2HF3O2/c25-24(26,27)17-4-1-3-16(15-17)18-7-8-19-22(28-18)32(11-14-35-19)23(33)30-20-5-2-6-21(29-20)31-9-12-34-13-10-31;3-2(4,5)1(6)7/h1-8,15H,9-14H2,(H,29,30,33);(H,6,7).
What are the key properties of N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 599.49 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 88960050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).