N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C23H21F3N4O5 — CID 53233777

IUPACN-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H](O)CO)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H21F3N4O5/c24-23(25,26)15-4-1-3-14(11-15)17-7-8-18-21(27-17)30(9-10-34-18)22(33)29-19-5-2-6-20(28-19)35-13-16(32)12-31/h1-8,11,16,31-32H,9-10,12-13H2,(H,28,29,33)/t16-/m0/s1
InChIKeyRIMIPSDLEVSWNU-INIZCTEOSA-N
MW490.44 g/mol
LogP3.33
Rot. Bonds6

About N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 53233777) has the molecular formula C23H21F3N4O5 and a molecular weight of 490.44 g/mol. Its IUPAC name is N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID53233777
Molecular FormulaC23H21F3N4O5
Molecular Weight490.44 g/mol
Exact Mass490.15
IUPAC NameN-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H](O)CO)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H21F3N4O5/c24-23(25,26)15-4-1-3-14(11-15)17-7-8-18-21(27-17)30(9-10-34-18)22(33)29-19-5-2-6-20(28-19)35-13-16(32)12-31/h1-8,11,16,31-32H,9-10,12-13H2,(H,28,29,33)/t16-/m0/s1
InChIKeyRIMIPSDLEVSWNU-INIZCTEOSA-N
XLogP3.33
TPSA117.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.44
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-((2S,5R)-2-(methoxymethyl)-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 66996137
6-[[[(3R,6S)-6-[(1S)-1-hydroxy-2-(7-methoxy-2-oxo-1,8-naphthyridin-1-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 137643211
1-[5-[6-(2-Hydroxyethoxy)-3-pyridinyl]-4-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
CID 155514513
1-[5-[6-(2-Hydroxyethoxy)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-3-methylurea
CID 155535024
6-[[[2-[(1S)-2-(7-fluoro-2-methoxyquinolin-8-yl)-1-hydroxyethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 164617751
6-((2S,5R)-2-(hydroxymethyl)-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 66996020
(2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 155160713
(2R)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 155160714
6-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 145949824
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
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

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 53233777) is N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is O=C(Nc1cccc(OC[C@@H](O)CO)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is RIMIPSDLEVSWNU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21F3N4O5/c24-23(25,26)15-4-1-3-14(11-15)17-7-8-18-21(27-17)30(9-10-34-18)22(33)29-19-5-2-6-20(28-19)35-13-16(32)12-31/h1-8,11,16,31-32H,9-10,12-13H2,(H,28,29,33)/t16-/m0/s1.
What are the key properties of N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 490.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 53233777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).