3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid

C22H22N4O6 — CID 135366610

About 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid

3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid (PubChem CID 135366610) has the molecular formula C22H22N4O6 and a molecular weight of 438.44 g/mol. Its IUPAC name is 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid.

Molecular Properties

• Compound Name: 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid
• PubChem CID: 135366610
• Molecular Formula: C22H22N4O6
• Molecular Weight: 438.44 g/mol
• Exact Mass: 438.15
• IUPAC Name: 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid
• SMILES: COc1cccc(-c2cccc(C(CC(=O)O)NC(=O)Nc3c(O)ccn(C)c3=O)c2)n1
• InChI: InChI=1S/C22H22N4O6/c1-26-10-9-17(27)20(21(26)30)25-22(31)24-16(12-19(28)29)14-6-3-5-13(11-14)15-7-4-8-18(23-15)32-2/h3-11,16,27H,12H2,1-2H3,(H,28,29)(H2,24,25,31)
• InChIKey: AULXGFRRGSNBBM-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 142.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.44
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid?

The IUPAC name of 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid (CID 135366610) is 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid.

What is the SMILES notation for 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid?

The canonical SMILES for 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid is COc1cccc(-c2cccc(C(CC(=O)O)NC(=O)Nc3c(O)ccn(C)c3=O)c2)n1.

What is the InChIKey of 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid?

The InChIKey is AULXGFRRGSNBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6/c1-26-10-9-17(27)20(21(26)30)25-22(31)24-16(12-19(28)29)14-6-3-5-13(11-14)15-7-4-8-18(23-15)32-2/h3-11,16,27H,12H2,1-2H3,(H,28,29)(H2,24,25,31).

What are the key properties of 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid?

3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid has a molecular weight of 438.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 4 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)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid is sourced from PubChem (CID 135366610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).