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

C26H29N3O5 — CID 175492585

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

ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate (PubChem CID 175492585) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate
• PubChem CID: 175492585
• Molecular Formula: C26H29N3O5
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.21
• IUPAC Name: ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate
• SMILES: CCOC(=O)CC(NC(=O)Nc1c(O)ccn(C)c1=O)c1cccc(Cc2ccccc2C)c1
• InChI: InChI=1S/C26H29N3O5/c1-4-34-23(31)16-21(27-26(33)28-24-22(30)12-13-29(3)25(24)32)20-11-7-9-18(15-20)14-19-10-6-5-8-17(19)2/h5-13,15,21,30H,4,14,16H2,1-3H3,(H2,27,28,33)
• InChIKey: QHRQJAHDHHMLPP-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 109.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate (CID 175492585) is ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate.

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

The canonical SMILES for ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate is CCOC(=O)CC(NC(=O)Nc1c(O)ccn(C)c1=O)c1cccc(Cc2ccccc2C)c1.

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

The InChIKey is QHRQJAHDHHMLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-4-34-23(31)16-21(27-26(33)28-24-22(30)12-13-29(3)25(24)32)20-11-7-9-18(15-20)14-19-10-6-5-8-17(19)2/h5-13,15,21,30H,4,14,16H2,1-3H3,(H2,27,28,33).

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

ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate has a molecular weight of 463.53 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate is sourced from PubChem (CID 175492585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).