ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate

C27H31N3O7 — CID 175563139

About ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate

ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate (PubChem CID 175563139) has the molecular formula C27H31N3O7 and a molecular weight of 509.56 g/mol. Its IUPAC name is ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate
• PubChem CID: 175563139
• Molecular Formula: C27H31N3O7
• Molecular Weight: 509.56 g/mol
• Exact Mass: 509.22
• IUPAC Name: ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate
• SMILES: CCOC(=O)CC(NC(=O)Nc1c(O)cc(C)n(C)c1=O)c1cc(OC)cc(-c2cccc(OC)c2)c1
• InChI: InChI=1S/C27H31N3O7/c1-6-37-24(32)15-22(28-27(34)29-25-23(31)10-16(2)30(3)26(25)33)19-11-18(13-21(14-19)36-5)17-8-7-9-20(12-17)35-4/h7-14,22,31H,6,15H2,1-5H3,(H2,28,29,34)
• InChIKey: XBGCKAULLNUIGO-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 128.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.56
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate?

The IUPAC name of ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate (CID 175563139) is ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate.

What is the SMILES notation for ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate?

The canonical SMILES for ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate is CCOC(=O)CC(NC(=O)Nc1c(O)cc(C)n(C)c1=O)c1cc(OC)cc(-c2cccc(OC)c2)c1.

What is the InChIKey of ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate?

The InChIKey is XBGCKAULLNUIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O7/c1-6-37-24(32)15-22(28-27(34)29-25-23(31)10-16(2)30(3)26(25)33)19-11-18(13-21(14-19)36-5)17-8-7-9-20(12-17)35-4/h7-14,22,31H,6,15H2,1-5H3,(H2,28,29,34).

What are the key properties of ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate?

ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate has a molecular weight of 509.56 g/mol, XLogP of 3.90, 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-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate is sourced from PubChem (CID 175563139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).