N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide

C27H32N6O3 — CID 110122450

About N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide

N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 110122450) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
• PubChem CID: 110122450
• Molecular Formula: C27H32N6O3
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.25
• IUPAC Name: N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
• SMILES: CCc1nccn1-c1cccc(C2CCCN2C(=O)c2ccc(=O)n(CC(=O)NC3CCCC3)c2)n1
• InChI: InChI=1S/C27H32N6O3/c1-2-23-28-14-16-33(23)24-11-5-9-21(30-24)22-10-6-15-32(22)27(36)19-12-13-26(35)31(17-19)18-25(34)29-20-7-3-4-8-20/h5,9,11-14,16-17,20,22H,2-4,6-8,10,15,18H2,1H3,(H,29,34)
• InChIKey: ZKOQJHCXATWRTM-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 102.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?

The IUPAC name of N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide (CID 110122450) is N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide.

What is the SMILES notation for N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?

The canonical SMILES for N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide is CCc1nccn1-c1cccc(C2CCCN2C(=O)c2ccc(=O)n(CC(=O)NC3CCCC3)c2)n1.

What is the InChIKey of N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?

The InChIKey is ZKOQJHCXATWRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-2-23-28-14-16-33(23)24-11-5-9-21(30-24)22-10-6-15-32(22)27(36)19-12-13-26(35)31(17-19)18-25(34)29-20-7-3-4-8-20/h5,9,11-14,16-17,20,22H,2-4,6-8,10,15,18H2,1H3,(H,29,34).

What are the key properties of N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?

N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 488.59 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[5-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 110122450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).