3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(2-methylphenyl)phenyl]propanoic acid

C25H27N3O6 — CID 175002180

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

3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(2-methylphenyl)phenyl]propanoic acid (PubChem CID 175002180) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is 3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(2-methylphenyl)phenyl]propanoic acid.

Molecular Properties

• Compound Name: 3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(2-methylphenyl)phenyl]propanoic acid
• PubChem CID: 175002180
• Molecular Formula: C25H27N3O6
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.19
• IUPAC Name: 3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(2-methylphenyl)phenyl]propanoic acid
• SMILES: COc1cc(-c2ccccc2C)cc(C(CC(=O)O)NC(=O)Nc2c(O)c(C)cn(C)c2=O)c1
• InChI: InChI=1S/C25H27N3O6/c1-14-7-5-6-8-19(14)16-9-17(11-18(10-16)34-4)20(12-21(29)30)26-25(33)27-22-23(31)15(2)13-28(3)24(22)32/h5-11,13,20,31H,12H2,1-4H3,(H,29,30)(H2,26,27,33)
• InChIKey: CRTHQAAXAZTBIZ-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 129.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(2-methylphenyl)phenyl]propanoic acid (CID 175002180) is 3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(2-methylphenyl)phenyl]propanoic acid.

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

The canonical SMILES for 3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(2-methylphenyl)phenyl]propanoic acid is COc1cc(-c2ccccc2C)cc(C(CC(=O)O)NC(=O)Nc2c(O)c(C)cn(C)c2=O)c1.

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

The InChIKey is CRTHQAAXAZTBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-14-7-5-6-8-19(14)16-9-17(11-18(10-16)34-4)20(12-21(29)30)26-25(33)27-22-23(31)15(2)13-28(3)24(22)32/h5-11,13,20,31H,12H2,1-4H3,(H,29,30)(H2,26,27,33).

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

3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(2-methylphenyl)phenyl]propanoic acid has a molecular weight of 465.51 g/mol, XLogP of 3.72, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(2-methylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 175002180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).