cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C19H20BrNO5 — CID 41123671

About cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 41123671) has the molecular formula C19H20BrNO5 and a molecular weight of 422.28 g/mol. Its IUPAC name is cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

• Compound Name: cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
• PubChem CID: 41123671
• Molecular Formula: C19H20BrNO5
• Molecular Weight: 422.28 g/mol
• Exact Mass: 421.05
• IUPAC Name: cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
• SMILES: CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Br)OCO3)CC(=O)N1
• InChI: InChI=1S/C19H20BrNO5/c1-10-18(19(23)26-11-4-2-3-5-11)13(7-17(22)21-10)12-6-15-16(8-14(12)20)25-9-24-15/h6,8,11,13H,2-5,7,9H2,1H3,(H,21,22)/t13-/m0/s1
• InChIKey: CFVSDBPBNXQZKY-ZDUSSCGKSA-N
• XLogP: 3.54
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.28
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

The IUPAC name of cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 41123671) is cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

What is the SMILES notation for cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

The canonical SMILES for cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Br)OCO3)CC(=O)N1.

What is the InChIKey of cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

The InChIKey is CFVSDBPBNXQZKY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20BrNO5/c1-10-18(19(23)26-11-4-2-3-5-11)13(7-17(22)21-10)12-6-15-16(8-14(12)20)25-9-24-15/h6,8,11,13H,2-5,7,9H2,1H3,(H,21,22)/t13-/m0/s1.

What are the key properties of cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?

cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 422.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 41123671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).