N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide

C28H32FN3O5 — CID 177382072

IUPACN-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide
SMILESCc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NC(=O)N1CCOCC1
InChIInChI=1S/C28H32FN3O5/c1-17-12-20(29)13-18(2)26(17)37-24-7-6-19(28(3,4)35)14-21(24)22-16-31(5)25(33)15-23(22)30-27(34)32-8-10-36-11-9-32/h6-7,12-16,35H,8-11H2,1-5H3,(H,30,34)
InChIKeyHAIMLAPJMGWVGL-UHFFFAOYSA-N
MW509.58 g/mol
LogP4.69
Rot. Bonds5

About N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide

N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide (PubChem CID 177382072) has the molecular formula C28H32FN3O5 and a molecular weight of 509.58 g/mol. Its IUPAC name is N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide
PubChem CID177382072
Molecular FormulaC28H32FN3O5
Molecular Weight509.58 g/mol
Exact Mass509.23
IUPAC NameN-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide
SMILESCc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NC(=O)N1CCOCC1
InChIInChI=1S/C28H32FN3O5/c1-17-12-20(29)13-18(2)26(17)37-24-7-6-19(28(3,4)35)14-21(24)22-16-31(5)25(33)15-23(22)30-27(34)32-8-10-36-11-9-32/h6-7,12-16,35H,8-11H2,1-5H3,(H,30,34)
InChIKeyHAIMLAPJMGWVGL-UHFFFAOYSA-N
XLogP4.69
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(pyrrolidine-1-carbonyl)cyclohexyl]oxypyridin-2-one
CID 153294784
5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[4-(2-oxoimidazolidin-1-yl)cyclohexyl]oxypyridin-2-one
CID 153294858
3-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 153294975
1-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 167168507
4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one
CID 170335095
N-(1,3-difluoropropan-2-yl)-7-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 155140520
4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-2-(3-fluoro-3-methylpiperidine-1-carbonyl)-6-methylthieno[2,3-c]pyridin-7-one
CID 170335083
7-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-5-methyl-N-(2-methylsulfanylethyl)-4-oxo-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 155140519
N-[4-[[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]-N-(3-methoxypropyl)-1-methylcyclopropane-1-carboxamide
CID 150535851
4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-N-(3-hydroxy-4-propan-2-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 168980293
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
2-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[5-methyl-2-[2-(oxan-4-yl)-1H-imidazol-5-yl]-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]propan-2-yl acetate
CID 168866846

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide (CID 177382072) is N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide is Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NC(=O)N1CCOCC1.
What is the InChIKey of N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide?
The InChIKey is HAIMLAPJMGWVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O5/c1-17-12-20(29)13-18(2)26(17)37-24-7-6-19(28(3,4)35)14-21(24)22-16-31(5)25(33)15-23(22)30-27(34)32-8-10-36-11-9-32/h6-7,12-16,35H,8-11H2,1-5H3,(H,30,34).
What are the key properties of N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide?
N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide has a molecular weight of 509.58 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxo-4-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 177382072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).