2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide

C24H29N5O4S — CID 53088519

About 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 53088519) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 53088519
• Molecular Formula: C24H29N5O4S
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.19
• IUPAC Name: 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide
• SMILES: O=C(CN1C(=O)C2CCCCN2c2ccc(S(=O)(=O)N3CCCC3)cc21)NCc1cccnc1
• InChI: InChI=1S/C24H29N5O4S/c30-23(26-16-18-6-5-10-25-15-18)17-29-22-14-19(34(32,33)27-11-3-4-12-27)8-9-20(22)28-13-2-1-7-21(28)24(29)31/h5-6,8-10,14-15,21H,1-4,7,11-13,16-17H2,(H,26,30)
• InChIKey: SPKYDLQWMOADCT-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 102.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 53088519) is 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(CN1C(=O)C2CCCCN2c2ccc(S(=O)(=O)N3CCCC3)cc21)NCc1cccnc1.

What is the InChIKey of 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is SPKYDLQWMOADCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c30-23(26-16-18-6-5-10-25-15-18)17-29-22-14-19(34(32,33)27-11-3-4-12-27)8-9-20(22)28-13-2-1-7-21(28)24(29)31/h5-6,8-10,14-15,21H,1-4,7,11-13,16-17H2,(H,26,30).

What are the key properties of 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide?

2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 483.59 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 53088519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).