methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

C36H38FN5O6 — CID 90076192

About methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate (PubChem CID 90076192) has the molecular formula C36H38FN5O6 and a molecular weight of 655.73 g/mol. Its IUPAC name is methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
• PubChem CID: 90076192
• Molecular Formula: C36H38FN5O6
• Molecular Weight: 655.73 g/mol
• Exact Mass: 655.28
• IUPAC Name: methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
• SMILES: COC(=O)NC(C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](CNC(=O)c2[nH]c(=O)ccc2F)CO1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C36H38FN5O6/c1-47-36(46)42-33(31(24-11-4-2-5-12-24)25-13-6-3-7-14-25)35(45)40-29-15-9-8-10-23(29)16-17-27-21-38-26(22-48-27)20-39-34(44)32-28(37)18-19-30(43)41-32/h2-15,18-19,26-27,31,33,38H,16-17,20-22H2,1H3,(H,39,44)(H,40,45)(H,41,43)(H,42,46)/t26-,27-,33?/m1/s1
• InChIKey: MZAVRGZWESDBFC-OMKZWDOSSA-N
• XLogP: 3.73
• TPSA: 150.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	655.73
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

The IUPAC name of methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate (CID 90076192) is methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate.

What is the SMILES notation for methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate is COC(=O)NC(C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](CNC(=O)c2[nH]c(=O)ccc2F)CO1)C(c1ccccc1)c1ccccc1.

What is the InChIKey of methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

The InChIKey is MZAVRGZWESDBFC-OMKZWDOSSA-N. The full InChI is InChI=1S/C36H38FN5O6/c1-47-36(46)42-33(31(24-11-4-2-5-12-24)25-13-6-3-7-14-25)35(45)40-29-15-9-8-10-23(29)16-17-27-21-38-26(22-48-27)20-39-34(44)32-28(37)18-19-30(43)41-32/h2-15,18-19,26-27,31,33,38H,16-17,20-22H2,1H3,(H,39,44)(H,40,45)(H,41,43)(H,42,46)/t26-,27-,33?/m1/s1.

What are the key properties of methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?

methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate has a molecular weight of 655.73 g/mol, XLogP of 3.73, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-[2-[(2R,5R)-5-[[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]methyl]morpholin-2-yl]ethyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate is sourced from PubChem (CID 90076192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).