N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide

C23H29N3O3 — CID 71703246

About N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide

N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide (PubChem CID 71703246) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
• PubChem CID: 71703246
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
• SMILES: COc1cn(CC(=O)NC2CCCC2)c(CN2CCc3ccccc3C2)cc1=O
• InChI: InChI=1S/C23H29N3O3/c1-29-22-15-26(16-23(28)24-19-8-4-5-9-19)20(12-21(22)27)14-25-11-10-17-6-2-3-7-18(17)13-25/h2-3,6-7,12,15,19H,4-5,8-11,13-14,16H2,1H3,(H,24,28)
• InChIKey: JLORSRBGNXIWDE-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?

The IUPAC name of N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide (CID 71703246) is N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide.

What is the SMILES notation for N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?

The canonical SMILES for N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)NC2CCCC2)c(CN2CCc3ccccc3C2)cc1=O.

What is the InChIKey of N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?

The InChIKey is JLORSRBGNXIWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-22-15-26(16-23(28)24-19-8-4-5-9-19)20(12-21(22)27)14-25-11-10-17-6-2-3-7-18(17)13-25/h2-3,6-7,12,15,19H,4-5,8-11,13-14,16H2,1H3,(H,24,28).

What are the key properties of N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?

N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 71703246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).