[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

C19H18Cl3N3O4 — CID 46818871

About [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate (PubChem CID 46818871) has the molecular formula C19H18Cl3N3O4 and a molecular weight of 458.73 g/mol. Its IUPAC name is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate.

Molecular Properties

• Compound Name: [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
• PubChem CID: 46818871
• Molecular Formula: C19H18Cl3N3O4
• Molecular Weight: 458.73 g/mol
• Exact Mass: 457.04
• IUPAC Name: [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
• SMILES: CC(=O)NC(CC(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl)c1ccc(Cl)cc1
• InChI: InChI=1S/C19H18Cl3N3O4/c1-10-14(21)8-23-19(18(10)22)25-16(27)9-29-17(28)7-15(24-11(2)26)12-3-5-13(20)6-4-12/h3-6,8,15H,7,9H2,1-2H3,(H,24,26)(H,23,25,27)
• InChIKey: CWDDZBHPOCFQAM-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.73
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?

The IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate (CID 46818871) is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate.

What is the SMILES notation for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?

The canonical SMILES for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate is CC(=O)NC(CC(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl)c1ccc(Cl)cc1.

What is the InChIKey of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?

The InChIKey is CWDDZBHPOCFQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O4/c1-10-14(21)8-23-19(18(10)22)25-16(27)9-29-17(28)7-15(24-11(2)26)12-3-5-13(20)6-4-12/h3-6,8,15H,7,9H2,1-2H3,(H,24,26)(H,23,25,27).

What are the key properties of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate has a molecular weight of 458.73 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 46818871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).