methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate

C21H31N3O5 — CID 42625373

IUPACmethyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCN([C@H](C(=O)OC(C)(C)C)C(C)(C)C)C2=O)n1
InChIInChI=1S/C21H31N3O5/c1-20(2,3)16(18(26)29-21(4,5)6)24-12-11-23(19(24)27)13-14-9-8-10-15(22-14)17(25)28-7/h8-10,16H,11-13H2,1-7H3/t16-/m1/s1
InChIKeyPONMZKHWFHOJPC-MRXNPFEDSA-N
MW405.50 g/mol
LogP2.86
Rot. Bonds5

About methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate

methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 42625373) has the molecular formula C21H31N3O5 and a molecular weight of 405.50 g/mol. Its IUPAC name is methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate
PubChem CID42625373
Molecular FormulaC21H31N3O5
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC Namemethyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCN([C@H](C(=O)OC(C)(C)C)C(C)(C)C)C2=O)n1
InChIInChI=1S/C21H31N3O5/c1-20(2,3)16(18(26)29-21(4,5)6)24-12-11-23(19(24)27)13-14-9-8-10-15(22-14)17(25)28-7/h8-10,16H,11-13H2,1-7H3/t16-/m1/s1
InChIKeyPONMZKHWFHOJPC-MRXNPFEDSA-N
XLogP2.86
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate (CID 42625373) is methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CCN([C@H](C(=O)OC(C)(C)C)C(C)(C)C)C2=O)n1.
What is the InChIKey of methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is PONMZKHWFHOJPC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H31N3O5/c1-20(2,3)16(18(26)29-21(4,5)6)24-12-11-23(19(24)27)13-14-9-8-10-15(22-14)17(25)28-7/h8-10,16H,11-13H2,1-7H3/t16-/m1/s1.
What are the key properties of methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-oxoimidazolidin-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 42625373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).