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

C26H29N3O6 — CID 175562776

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

ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(3-methoxyphenyl)-4-methylphenyl]propanoate (PubChem CID 175562776) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(3-methoxyphenyl)-4-methylphenyl]propanoate.

Molecular Properties

• Compound Name: ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(3-methoxyphenyl)-4-methylphenyl]propanoate
• PubChem CID: 175562776
• Molecular Formula: C26H29N3O6
• Molecular Weight: 479.53 g/mol
• Exact Mass: 479.21
• IUPAC Name: ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(3-methoxyphenyl)-4-methylphenyl]propanoate
• SMILES: CCOC(=O)CC(NC(=O)Nc1c(O)ccn(C)c1=O)c1ccc(C)c(-c2cccc(OC)c2)c1
• InChI: InChI=1S/C26H29N3O6/c1-5-35-23(31)15-21(27-26(33)28-24-22(30)11-12-29(3)25(24)32)18-10-9-16(2)20(14-18)17-7-6-8-19(13-17)34-4/h6-14,21,30H,5,15H2,1-4H3,(H2,27,28,33)
• InChIKey: KCGCRIZTOYDWSI-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 118.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.53
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(3-methoxyphenyl)-4-methylphenyl]propanoate (CID 175562776) is ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(3-methoxyphenyl)-4-methylphenyl]propanoate.

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

The canonical SMILES for ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(3-methoxyphenyl)-4-methylphenyl]propanoate is CCOC(=O)CC(NC(=O)Nc1c(O)ccn(C)c1=O)c1ccc(C)c(-c2cccc(OC)c2)c1.

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

The InChIKey is KCGCRIZTOYDWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-5-35-23(31)15-21(27-26(33)28-24-22(30)11-12-29(3)25(24)32)18-10-9-16(2)20(14-18)17-7-6-8-19(13-17)34-4/h6-14,21,30H,5,15H2,1-4H3,(H2,27,28,33).

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

ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(3-methoxyphenyl)-4-methylphenyl]propanoate has a molecular weight of 479.53 g/mol, XLogP of 3.89, 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-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(3-methoxyphenyl)-4-methylphenyl]propanoate is sourced from PubChem (CID 175562776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).