methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate

C21H24F3N3O5 — CID 10456684

IUPACmethyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O)C(F)(F)F)c1=O
InChIInChI=1S/C21H24F3N3O5/c1-12(2)17(18(29)21(22,23)24)26-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)25-20(31)32-3/h4-10,12,17-18,29H,11H2,1-3H3,(H,25,31)(H,26,28)
InChIKeyPKJGDSHBXLPUOH-UHFFFAOYSA-N
MW455.43 g/mol
LogP2.76
Rot. Bonds7

About methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate

methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate (PubChem CID 10456684) has the molecular formula C21H24F3N3O5 and a molecular weight of 455.43 g/mol. Its IUPAC name is methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
PubChem CID10456684
Molecular FormulaC21H24F3N3O5
Molecular Weight455.43 g/mol
Exact Mass455.17
IUPAC Namemethyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O)C(F)(F)F)c1=O
InChIInChI=1S/C21H24F3N3O5/c1-12(2)17(18(29)21(22,23)24)26-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)25-20(31)32-3/h4-10,12,17-18,29H,11H2,1-3H3,(H,25,31)(H,26,28)
InChIKeyPKJGDSHBXLPUOH-UHFFFAOYSA-N
XLogP2.76
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

4-[2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]ethyl]benzoic acid
CID 22405560
[3-acetyloxy-2-(acetyloxymethyl)-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoylamino]propyl] acetate
CID 22405538
benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-pyridin-3-yl-3-pyridinyl]carbamate
CID 10459716
benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 139631472
(2,5-dioxopyrrolidin-1-yl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 22405483
2-[3-(2,2-dimethoxyethyl)-2,4,8-trioxo-6-phenyl-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 10506940
N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[2-oxo-6-phenyl-3-(pyridin-2-ylmethylcarbamoylamino)-1-pyridinyl]acetamide
CID 10032140
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
CID 10414749
2-[3-[2-(methylamino)-2-oxoethyl]-2,4,8-trioxo-6-phenyl-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 11800517
1H-imidazol-5-ylmethyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate;2,2,2-trifluoroacetic acid
CID 86749524
2-[6-oxo-2-phenyl-5-(pyridin-3-ylmethylcarbamoylamino)pyrimidin-1-yl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 19787867
2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide
CID 5289460

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate (CID 10456684) is methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate is COC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O)C(F)(F)F)c1=O.
What is the InChIKey of methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?
The InChIKey is PKJGDSHBXLPUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O5/c1-12(2)17(18(29)21(22,23)24)26-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)25-20(31)32-3/h4-10,12,17-18,29H,11H2,1-3H3,(H,25,31)(H,26,28).
What are the key properties of methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate?
methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate has a molecular weight of 455.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate is sourced from PubChem (CID 10456684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).