5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide

C24H32N6O3 — CID 176560627

About 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide

5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide (PubChem CID 176560627) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
• PubChem CID: 176560627
• Molecular Formula: C24H32N6O3
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.25
• IUPAC Name: 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
• SMILES: CCc1ncc(C2CCC(N3CCN(c4ccc(C(=O)NC5COC5)nc4)CC3)C2)[nH]c1=O
• InChI: InChI=1S/C24H32N6O3/c1-2-20-23(31)28-22(13-26-20)16-3-4-18(11-16)29-7-9-30(10-8-29)19-5-6-21(25-12-19)24(32)27-17-14-33-15-17/h5-6,12-13,16-18H,2-4,7-11,14-15H2,1H3,(H,27,32)(H,28,31)
• InChIKey: XBIPSXJCMHMANR-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 103.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?

The IUPAC name of 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide (CID 176560627) is 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?

The canonical SMILES for 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide is CCc1ncc(C2CCC(N3CCN(c4ccc(C(=O)NC5COC5)nc4)CC3)C2)[nH]c1=O.

What is the InChIKey of 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?

The InChIKey is XBIPSXJCMHMANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-2-20-23(31)28-22(13-26-20)16-3-4-18(11-16)29-7-9-30(10-8-29)19-5-6-21(25-12-19)24(32)27-17-14-33-15-17/h5-6,12-13,16-18H,2-4,7-11,14-15H2,1H3,(H,27,32)(H,28,31).

What are the key properties of 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?

5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 176560627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).