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

C25H27N3O7 — CID 142472208

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

ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-(3-methoxyphenoxy)phenyl]propanoate (PubChem CID 142472208) has the molecular formula C25H27N3O7 and a molecular weight of 481.51 g/mol. Its IUPAC name is ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-(3-methoxyphenoxy)phenyl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-(3-methoxyphenoxy)phenyl]propanoate
• PubChem CID: 142472208
• Molecular Formula: C25H27N3O7
• Molecular Weight: 481.51 g/mol
• Exact Mass: 481.18
• IUPAC Name: ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-(3-methoxyphenoxy)phenyl]propanoate
• SMILES: CCOC(=O)CC(NC(=O)Nc1c(O)ccn(C)c1=O)c1ccc(Oc2cccc(OC)c2)cc1
• InChI: InChI=1S/C25H27N3O7/c1-4-34-22(30)15-20(26-25(32)27-23-21(29)12-13-28(2)24(23)31)16-8-10-17(11-9-16)35-19-7-5-6-18(14-19)33-3/h5-14,20,29H,4,15H2,1-3H3,(H2,26,27,32)
• InChIKey: ACZBRRFFOGUVMJ-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 128.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.51
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-(3-methoxyphenoxy)phenyl]propanoate (CID 142472208) is ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-(3-methoxyphenoxy)phenyl]propanoate.

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

The canonical SMILES for ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-(3-methoxyphenoxy)phenyl]propanoate is CCOC(=O)CC(NC(=O)Nc1c(O)ccn(C)c1=O)c1ccc(Oc2cccc(OC)c2)cc1.

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

The InChIKey is ACZBRRFFOGUVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O7/c1-4-34-22(30)15-20(26-25(32)27-23-21(29)12-13-28(2)24(23)31)16-8-10-17(11-9-16)35-19-7-5-6-18(14-19)33-3/h5-14,20,29H,4,15H2,1-3H3,(H2,26,27,32).

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

ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-(3-methoxyphenoxy)phenyl]propanoate has a molecular weight of 481.51 g/mol, XLogP of 3.71, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-(3-methoxyphenoxy)phenyl]propanoate is sourced from PubChem (CID 142472208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).