N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C24H23F3N4O5 — CID 121257519

IUPACN-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)nc2c1OCCN2C(=O)Nc1cccc(OCC(O)CO)n1
InChIInChI=1S/C24H23F3N4O5/c1-14-10-18(15-4-2-5-16(11-15)24(25,26)27)28-22-21(14)35-9-8-31(22)23(34)30-19-6-3-7-20(29-19)36-13-17(33)12-32/h2-7,10-11,17,32-33H,8-9,12-13H2,1H3,(H,29,30,34)
InChIKeyMSWJRRLPWIMAGB-UHFFFAOYSA-N
MW504.47 g/mol
LogP3.63
Rot. Bonds6

About N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 121257519) has the molecular formula C24H23F3N4O5 and a molecular weight of 504.47 g/mol. Its IUPAC name is N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID121257519
Molecular FormulaC24H23F3N4O5
Molecular Weight504.47 g/mol
Exact Mass504.16
IUPAC NameN-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)nc2c1OCCN2C(=O)Nc1cccc(OCC(O)CO)n1
InChIInChI=1S/C24H23F3N4O5/c1-14-10-18(15-4-2-5-16(11-15)24(25,26)27)28-22-21(14)35-9-8-31(22)23(34)30-19-6-3-7-20(29-19)36-13-17(33)12-32/h2-7,10-11,17,32-33H,8-9,12-13H2,1H3,(H,29,30,34)
InChIKeyMSWJRRLPWIMAGB-UHFFFAOYSA-N
XLogP3.63
TPSA117.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
(3S)-N-[3-[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160691
(2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 155160713

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 121257519) is N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is Cc1cc(-c2cccc(C(F)(F)F)c2)nc2c1OCCN2C(=O)Nc1cccc(OCC(O)CO)n1.
What is the InChIKey of N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is MSWJRRLPWIMAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O5/c1-14-10-18(15-4-2-5-16(11-15)24(25,26)27)28-22-21(14)35-9-8-31(22)23(34)30-19-6-3-7-20(29-19)36-13-17(33)12-32/h2-7,10-11,17,32-33H,8-9,12-13H2,1H3,(H,29,30,34).
What are the key properties of N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 504.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 121257519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).