methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate

C22H20ClN3O2 — CID 90338521

About methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate

methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate (PubChem CID 90338521) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate.

Molecular Properties

• Compound Name: methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate
• PubChem CID: 90338521
• Molecular Formula: C22H20ClN3O2
• Molecular Weight: 393.87 g/mol
• Exact Mass: 393.12
• IUPAC Name: methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate
• SMILES: COC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cn1
• InChI: InChI=1S/C22H20ClN3O2/c1-28-22(27)11-16-8-9-17(13-24-16)25-21-12-20(14-4-2-5-15(23)10-14)26-19-7-3-6-18(19)21/h2,4-5,8-10,12-13H,3,6-7,11H2,1H3,(H,25,26)
• InChIKey: REFXTAPRRWZBIE-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.87
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate?

The IUPAC name of methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate (CID 90338521) is methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate.

What is the SMILES notation for methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate?

The canonical SMILES for methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate is COC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cn1.

What is the InChIKey of methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate?

The InChIKey is REFXTAPRRWZBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-28-22(27)11-16-8-9-17(13-24-16)25-21-12-20(14-4-2-5-15(23)10-14)26-19-7-3-6-18(19)21/h2,4-5,8-10,12-13H,3,6-7,11H2,1H3,(H,25,26).

What are the key properties of methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate?

methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate has a molecular weight of 393.87 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate is sourced from PubChem (CID 90338521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).