methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate

C17H25N3O5 — CID 165425398

IUPACmethyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc(OC)nc2OC)N1C
InChIInChI=1S/C17H25N3O5/c1-20-11(9-15(21)24-3)5-6-12(20)10-18-16(22)13-7-8-14(23-2)19-17(13)25-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,22)/t11-,12+/m1/s1
InChIKeyUKWYXTGNGCDRAX-NEPJUHHUSA-N
MW351.40 g/mol
LogP0.85
Rot. Bonds7

About methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate

methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate (PubChem CID 165425398) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate
PubChem CID165425398
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Namemethyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc(OC)nc2OC)N1C
InChIInChI=1S/C17H25N3O5/c1-20-11(9-15(21)24-3)5-6-12(20)10-18-16(22)13-7-8-14(23-2)19-17(13)25-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,22)/t11-,12+/m1/s1
InChIKeyUKWYXTGNGCDRAX-NEPJUHHUSA-N
XLogP0.85
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate (CID 165425398) is methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate is COC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc(OC)nc2OC)N1C.
What is the InChIKey of methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate?
The InChIKey is UKWYXTGNGCDRAX-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-20-11(9-15(21)24-3)5-6-12(20)10-18-16(22)13-7-8-14(23-2)19-17(13)25-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,22)/t11-,12+/m1/s1.
What are the key properties of methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate?
methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate has a molecular weight of 351.40 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate is sourced from PubChem (CID 165425398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).