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

C23H21N5O5 — CID 135366110

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

3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-indazol-1-ylphenyl)propanoic acid (PubChem CID 135366110) has the molecular formula C23H21N5O5 and a molecular weight of 447.45 g/mol. Its IUPAC name is 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-indazol-1-ylphenyl)propanoic acid.

Molecular Properties

• Compound Name: 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-indazol-1-ylphenyl)propanoic acid
• PubChem CID: 135366110
• Molecular Formula: C23H21N5O5
• Molecular Weight: 447.45 g/mol
• Exact Mass: 447.15
• IUPAC Name: 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-indazol-1-ylphenyl)propanoic acid
• SMILES: Cn1ccc(O)c(NC(=O)NC(CC(=O)O)c2cccc(-n3ncc4ccccc43)c2)c1=O
• InChI: InChI=1S/C23H21N5O5/c1-27-10-9-19(29)21(22(27)32)26-23(33)25-17(12-20(30)31)14-6-4-7-16(11-14)28-18-8-3-2-5-15(18)13-24-28/h2-11,13,17,29H,12H2,1H3,(H,30,31)(H2,25,26,33)
• InChIKey: CKDVKJBUEXZYEG-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 138.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.45
LogP ≤ 5	2.77
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-indazol-1-ylphenyl)propanoic acid?

The IUPAC name of 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-indazol-1-ylphenyl)propanoic acid (CID 135366110) is 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-indazol-1-ylphenyl)propanoic acid.

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

The canonical SMILES for 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-indazol-1-ylphenyl)propanoic acid is Cn1ccc(O)c(NC(=O)NC(CC(=O)O)c2cccc(-n3ncc4ccccc43)c2)c1=O.

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

The InChIKey is CKDVKJBUEXZYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5/c1-27-10-9-19(29)21(22(27)32)26-23(33)25-17(12-20(30)31)14-6-4-7-16(11-14)28-18-8-3-2-5-15(18)13-24-28/h2-11,13,17,29H,12H2,1H3,(H,30,31)(H2,25,26,33).

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

3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-indazol-1-ylphenyl)propanoic acid has a molecular weight of 447.45 g/mol, XLogP of 2.77, 6 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-indazol-1-ylphenyl)propanoic acid is sourced from PubChem (CID 135366110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).