2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide

C32H34Cl2N4O2 — CID 66700523

About 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide

2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66700523) has the molecular formula C32H34Cl2N4O2 and a molecular weight of 577.56 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 66700523
• Molecular Formula: C32H34Cl2N4O2
• Molecular Weight: 577.56 g/mol
• Exact Mass: 576.21
• IUPAC Name: 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: CN(C(=O)c1cc(Cl)ccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21
• InChI: InChI=1S/C32H34Cl2N4O2/c1-36(31(40)27-21-24(33)5-6-28(27)34)29-7-4-22-2-3-23(20-26(22)29)30(39)38-18-12-32(13-19-38)10-16-37(17-11-32)25-8-14-35-15-9-25/h2-3,5-6,8-9,14-15,20-21,29H,4,7,10-13,16-19H2,1H3
• InChIKey: ZYQLBNQYEPRDRI-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 56.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.56
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66700523) is 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide is CN(C(=O)c1cc(Cl)ccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21.

What is the InChIKey of 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is ZYQLBNQYEPRDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34Cl2N4O2/c1-36(31(40)27-21-24(33)5-6-28(27)34)29-7-4-22-2-3-23(20-26(22)29)30(39)38-18-12-32(13-19-38)10-16-37(17-11-32)25-8-14-35-15-9-25/h2-3,5-6,8-9,14-15,20-21,29H,4,7,10-13,16-19H2,1H3.

What are the key properties of 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 577.56 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66700523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).