3-[2-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-5-phenyl-3-pyridinyl]propanoic acid

C21H20N4O5 — CID 170546862

About 3-[2-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-5-phenyl-3-pyridinyl]propanoic acid

3-[2-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-5-phenyl-3-pyridinyl]propanoic acid (PubChem CID 170546862) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 3-[2-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-5-phenyl-3-pyridinyl]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-5-phenyl-3-pyridinyl]propanoic acid
• PubChem CID: 170546862
• Molecular Formula: C21H20N4O5
• Molecular Weight: 408.41 g/mol
• Exact Mass: 408.14
• IUPAC Name: 3-[2-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-5-phenyl-3-pyridinyl]propanoic acid
• SMILES: Cn1ccc(O)c(NC(=O)Nc2ncc(-c3ccccc3)cc2CCC(=O)O)c1=O
• InChI: InChI=1S/C21H20N4O5/c1-25-10-9-16(26)18(20(25)29)23-21(30)24-19-14(7-8-17(27)28)11-15(12-22-19)13-5-3-2-4-6-13/h2-6,9-12,26H,7-8H2,1H3,(H,27,28)(H2,22,23,24,30)
• InChIKey: FNGRGBBSAYTLJT-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 133.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.41
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[2-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-5-phenyl-3-pyridinyl]propanoic acid (CID 170546862) is 3-[2-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-5-phenyl-3-pyridinyl]propanoic acid.

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

The canonical SMILES for 3-[2-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-5-phenyl-3-pyridinyl]propanoic acid is Cn1ccc(O)c(NC(=O)Nc2ncc(-c3ccccc3)cc2CCC(=O)O)c1=O.

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

The InChIKey is FNGRGBBSAYTLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-25-10-9-16(26)18(20(25)29)23-21(30)24-19-14(7-8-17(27)28)11-15(12-22-19)13-5-3-2-4-6-13/h2-6,9-12,26H,7-8H2,1H3,(H,27,28)(H2,22,23,24,30).

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

3-[2-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-5-phenyl-3-pyridinyl]propanoic acid has a molecular weight of 408.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-5-phenyl-3-pyridinyl]propanoic acid is sourced from PubChem (CID 170546862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).