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

C28H33N3O6 — CID 175562923

IUPACethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate
SMILESCCOC(=O)CC(NC(=O)Nc1c(O)cc(C)n(C)c1=O)c1cc(OC)cc(-c2ccccc2C)c1C
InChIInChI=1S/C28H33N3O6/c1-7-37-25(33)15-23(29-28(35)30-26-24(32)12-17(3)31(5)27(26)34)22-14-19(36-6)13-21(18(22)4)20-11-9-8-10-16(20)2/h8-14,23,32H,7,15H2,1-6H3,(H2,29,30,35)
InChIKeyAIFKBNQCBJVWFU-UHFFFAOYSA-N
MW507.59 g/mol
LogP4.51
Rot. Bonds8

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

ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate (PubChem CID 175562923) has the molecular formula C28H33N3O6 and a molecular weight of 507.59 g/mol. Its IUPAC name is ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate
PubChem CID175562923
Molecular FormulaC28H33N3O6
Molecular Weight507.59 g/mol
Exact Mass507.24
IUPAC Nameethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate
SMILESCCOC(=O)CC(NC(=O)Nc1c(O)cc(C)n(C)c1=O)c1cc(OC)cc(-c2ccccc2C)c1C
InChIInChI=1S/C28H33N3O6/c1-7-37-25(33)15-23(29-28(35)30-26-24(32)12-17(3)31(5)27(26)34)22-14-19(36-6)13-21(18(22)4)20-11-9-8-10-16(20)2/h8-14,23,32H,7,15H2,1-6H3,(H2,29,30,35)
InChIKeyAIFKBNQCBJVWFU-UHFFFAOYSA-N
XLogP4.51
TPSA118.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate?
The IUPAC name of ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate (CID 175562923) is ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate is CCOC(=O)CC(NC(=O)Nc1c(O)cc(C)n(C)c1=O)c1cc(OC)cc(-c2ccccc2C)c1C.
What is the InChIKey of ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate?
The InChIKey is AIFKBNQCBJVWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O6/c1-7-37-25(33)15-23(29-28(35)30-26-24(32)12-17(3)31(5)27(26)34)22-14-19(36-6)13-21(18(22)4)20-11-9-8-10-16(20)2/h8-14,23,32H,7,15H2,1-6H3,(H2,29,30,35).
What are the key properties of ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate?
ethyl 3-[(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate has a molecular weight of 507.59 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 7 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-[5-methoxy-2-methyl-3-(2-methylphenyl)phenyl]propanoate is sourced from PubChem (CID 175562923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).