3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid

C25H27N3O7 — CID 175002287

About 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid

3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid (PubChem CID 175002287) has the molecular formula C25H27N3O7 and a molecular weight of 481.51 g/mol. Its IUPAC name is 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid
• PubChem CID: 175002287
• Molecular Formula: C25H27N3O7
• Molecular Weight: 481.51 g/mol
• Exact Mass: 481.18
• IUPAC Name: 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid
• SMILES: COc1cccc(-c2cc(N(C(=O)NCCC(=O)O)c3c(O)c(C)cn(C)c3=O)ccc2OC)c1
• InChI: InChI=1S/C25H27N3O7/c1-15-14-27(2)24(32)22(23(15)31)28(25(33)26-11-10-21(29)30)17-8-9-20(35-4)19(13-17)16-6-5-7-18(12-16)34-3/h5-9,12-14,31H,10-11H2,1-4H3,(H,26,33)(H,29,30)
• InChIKey: HXDQJVIBLQESOW-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 130.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.51
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid?

The IUPAC name of 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid (CID 175002287) is 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid.

What is the SMILES notation for 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid?

The canonical SMILES for 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid is COc1cccc(-c2cc(N(C(=O)NCCC(=O)O)c3c(O)c(C)cn(C)c3=O)ccc2OC)c1.

What is the InChIKey of 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid?

The InChIKey is HXDQJVIBLQESOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O7/c1-15-14-27(2)24(32)22(23(15)31)28(25(33)26-11-10-21(29)30)17-8-9-20(35-4)19(13-17)16-6-5-7-18(12-16)34-3/h5-9,12-14,31H,10-11H2,1-4H3,(H,26,33)(H,29,30).

What are the key properties of 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid?

3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid has a molecular weight of 481.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 175002287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).