2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide

C33H37ClN4O2 — CID 66701189

About 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide

2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 66701189) has the molecular formula C33H37ClN4O2 and a molecular weight of 557.14 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide
• PubChem CID: 66701189
• Molecular Formula: C33H37ClN4O2
• Molecular Weight: 557.14 g/mol
• Exact Mass: 556.26
• IUPAC Name: 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide
• SMILES: CN(C(=O)Cc1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21
• InChI: InChI=1S/C33H37ClN4O2/c1-36(31(39)23-25-4-2-3-5-29(25)34)30-9-8-24-6-7-26(22-28(24)30)32(40)38-20-14-33(15-21-38)12-18-37(19-13-33)27-10-16-35-17-11-27/h2-7,10-11,16-17,22,30H,8-9,12-15,18-21,23H2,1H3
• InChIKey: RXFYPGGGHJQXHK-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 56.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.14
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide?

The IUPAC name of 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 66701189) is 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide.

What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide?

The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide is CN(C(=O)Cc1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21.

What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide?

The InChIKey is RXFYPGGGHJQXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClN4O2/c1-36(31(39)23-25-4-2-3-5-29(25)34)30-9-8-24-6-7-26(22-28(24)30)32(40)38-20-14-33(15-21-38)12-18-37(19-13-33)27-10-16-35-17-11-27/h2-7,10-11,16-17,22,30H,8-9,12-15,18-21,23H2,1H3.

What are the key properties of 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide?

2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 557.14 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 66701189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).