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

C24H25N3O7 — CID 175002335

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

3-[[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-[3-methoxy-5-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid (PubChem CID 175002335) has the molecular formula C24H25N3O7 and a molecular weight of 467.48 g/mol. Its IUPAC name is 3-[[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-[3-methoxy-5-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 3-[[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-[3-methoxy-5-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid
• PubChem CID: 175002335
• Molecular Formula: C24H25N3O7
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.17
• IUPAC Name: 3-[[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-[3-methoxy-5-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid
• SMILES: COc1cccc(-c2cc(OC)cc(N(C(=O)NCCC(=O)O)c3c(O)ccn(C)c3=O)c2)c1
• InChI: InChI=1S/C24H25N3O7/c1-26-10-8-20(28)22(23(26)31)27(24(32)25-9-7-21(29)30)17-11-16(13-19(14-17)34-3)15-5-4-6-18(12-15)33-2/h4-6,8,10-14,28H,7,9H2,1-3H3,(H,25,32)(H,29,30)
• InChIKey: MDJQSPBBYWEALE-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 130.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-[3-methoxy-5-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid (CID 175002335) is 3-[[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-[3-methoxy-5-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid.

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

The canonical SMILES for 3-[[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-[3-methoxy-5-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid is COc1cccc(-c2cc(OC)cc(N(C(=O)NCCC(=O)O)c3c(O)ccn(C)c3=O)c2)c1.

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

The InChIKey is MDJQSPBBYWEALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7/c1-26-10-8-20(28)22(23(26)31)27(24(32)25-9-7-21(29)30)17-11-16(13-19(14-17)34-3)15-5-4-6-18(12-15)33-2/h4-6,8,10-14,28H,7,9H2,1-3H3,(H,25,32)(H,29,30).

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

3-[[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-[3-methoxy-5-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid has a molecular weight of 467.48 g/mol, XLogP of 3.10, 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-methyl-2-oxo-3-pyridinyl)-[3-methoxy-5-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 175002335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).