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

C38H33F6N7O4 — CID 157494503

IUPACN-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFC(F)(F)c1cccc(-c2ccc3c(n2)NCCO3)c1.O=C(Nc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H22F3N5O3.C14H11F3N2O/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;15-14(16,17)10-3-1-2-9(8-10)11-4-5-12-13(19-11)18-6-7-20-12/h1-8,15H,9-14H2,(H,29,30,33);1-5,8H,6-7H2,(H,18,19)
InChIKeyBXQXLCRHUJXCST-UHFFFAOYSA-N
MW765.72 g/mol
LogP8.00
Rot. Bonds4

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

N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 157494503) has the molecular formula C38H33F6N7O4 and a molecular weight of 765.72 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;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

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;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID157494503
Molecular FormulaC38H33F6N7O4
Molecular Weight765.72 g/mol
Exact Mass765.25
IUPAC NameN-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFC(F)(F)c1cccc(-c2ccc3c(n2)NCCO3)c1.O=C(Nc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H22F3N5O3.C14H11F3N2O/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;15-14(16,17)10-3-1-2-9(8-10)11-4-5-12-13(19-11)18-6-7-20-12/h1-8,15H,9-14H2,(H,29,30,33);1-5,8H,6-7H2,(H,18,19)
InChIKeyBXQXLCRHUJXCST-UHFFFAOYSA-N
XLogP8.00
TPSA113.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.72
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine 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
1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 119098950
6-[[[1-[2-(3-fluoro-6-methoxy-2-piperazin-1-yl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118736032
6-[[[1-[2-[3-fluoro-6-methoxy-2-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118736033
1-[4-(2-Morpholinoethoxy)-2-(trifluoromethyl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70886964
1-[3-Fluoro-4-(2-morpholinoethoxy)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70886971
US20240116947, Example 34
CID 162441375
8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one
CID 25074006
6-[[[(3R,6S)-6-[(1R)-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 25129955
6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide
CID 46205353
6-(3-fluorophenyl)-N-(5-fluoro-3-pyridinyl)-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53232553
N-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233106

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;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
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;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 157494503) is N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
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;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
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;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is FC(F)(F)c1cccc(-c2ccc3c(n2)NCCO3)c1.O=C(Nc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
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;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is BXQXLCRHUJXCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3.C14H11F3N2O/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;15-14(16,17)10-3-1-2-9(8-10)11-4-5-12-13(19-11)18-6-7-20-12/h1-8,15H,9-14H2,(H,29,30,33);1-5,8H,6-7H2,(H,18,19).
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;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
N-(6-morpholin-4-yl-2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 765.72 g/mol, XLogP of 8.00, 4 rotatable bonds, 2 hydrogen bond donors, and 9 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;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 157494503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).