3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid

C24H25N3O5 — CID 135367434

About 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid

3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid (PubChem CID 135367434) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid.

Molecular Properties

• Compound Name: 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid
• PubChem CID: 135367434
• Molecular Formula: C24H25N3O5
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.18
• IUPAC Name: 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid
• SMILES: Cc1ccc(Cc2cccc(C(CC(=O)O)NC(=O)Nc3c(O)ccn(C)c3=O)c2)cc1
• InChI: InChI=1S/C24H25N3O5/c1-15-6-8-16(9-7-15)12-17-4-3-5-18(13-17)19(14-21(29)30)25-24(32)26-22-20(28)10-11-27(2)23(22)31/h3-11,13,19,28H,12,14H2,1-2H3,(H,29,30)(H2,25,26,32)
• InChIKey: BWOYTQNTMHFCBU-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 120.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid (CID 135367434) is 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid.

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

The canonical SMILES for 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid is Cc1ccc(Cc2cccc(C(CC(=O)O)NC(=O)Nc3c(O)ccn(C)c3=O)c2)cc1.

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

The InChIKey is BWOYTQNTMHFCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-15-6-8-16(9-7-15)12-17-4-3-5-18(13-17)19(14-21(29)30)25-24(32)26-22-20(28)10-11-27(2)23(22)31/h3-11,13,19,28H,12,14H2,1-2H3,(H,29,30)(H2,25,26,32).

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

3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid has a molecular weight of 435.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid is sourced from PubChem (CID 135367434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).