[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate

C₁₉H₁₉ClN₂O₅ — CID 8534958

About [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate

[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate (PubChem CID 8534958) has the molecular formula C₁₉H₁₉ClN₂O₅ and a molecular weight of 390.82 g/mol. Its IUPAC name is [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate.

Molecular Properties

• Compound Name: [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
• PubChem CID: 8534958
• Molecular Formula: C₁₉H₁₉ClN₂O₅
• Molecular Weight: 390.82 g/mol
• Exact Mass: 390.10
• IUPAC Name: [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
• SMILES: COc1ccc(C(C)=O)cc1CC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1
• InChI: InChI=1S/C19H19ClN2O5/c1-11(23)13-4-6-16(26-3)14(8-13)9-18(24)27-12(2)19(25)22-17-7-5-15(20)10-21-17/h4-8,10,12H,9H2,1-3H3,(H,21,22,25)/t12-/m0/s1
• InChIKey: GPKAXBFXQAUQLN-LBPRGKRZSA-N
• XLogP: 3.06
• TPSA: 94.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.82
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?

The IUPAC name of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate (CID 8534958) is [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate.

What is the SMILES notation for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?

The canonical SMILES for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate is COc1ccc(C(C)=O)cc1CC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1.

What is the InChIKey of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?

The InChIKey is GPKAXBFXQAUQLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-11(23)13-4-6-16(26-3)14(8-13)9-18(24)27-12(2)19(25)22-17-7-5-15(20)10-21-17/h4-8,10,12H,9H2,1-3H3,(H,21,22,25)/t12-/m0/s1.

What are the key properties of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate?

[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate has a molecular weight of 390.82 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate is sourced from PubChem (CID 8534958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8534958 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.