[1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid

C34H35N5O3 — CID 66757742

About [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid

[1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid (PubChem CID 66757742) has the molecular formula C34H35N5O3 and a molecular weight of 561.69 g/mol. Its IUPAC name is [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid.

Molecular Properties

• Compound Name: [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid
• PubChem CID: 66757742
• Molecular Formula: C34H35N5O3
• Molecular Weight: 561.69 g/mol
• Exact Mass: 561.27
• IUPAC Name: [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid
• SMILES: CCN(C(=O)O)C1CC2(CCN(c3ccc(C(=O)Nc4cc(-c5ccccc5)ccc4N)cn3)CC2)c2ccccc21
• InChI: InChI=1S/C34H35N5O3/c1-2-39(33(41)42)30-21-34(27-11-7-6-10-26(27)30)16-18-38(19-17-34)31-15-13-25(22-36-31)32(40)37-29-20-24(12-14-28(29)35)23-8-4-3-5-9-23/h3-15,20,22,30H,2,16-19,21,35H2,1H3,(H,37,40)(H,41,42)
• InChIKey: YWFXBVABQWTSCU-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 111.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid?

The IUPAC name of [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid (CID 66757742) is [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid.

What is the SMILES notation for [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid?

The canonical SMILES for [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid is CCN(C(=O)O)C1CC2(CCN(c3ccc(C(=O)Nc4cc(-c5ccccc5)ccc4N)cn3)CC2)c2ccccc21.

What is the InChIKey of [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid?

The InChIKey is YWFXBVABQWTSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O3/c1-2-39(33(41)42)30-21-34(27-11-7-6-10-26(27)30)16-18-38(19-17-34)31-15-13-25(22-36-31)32(40)37-29-20-24(12-14-28(29)35)23-8-4-3-5-9-23/h3-15,20,22,30H,2,16-19,21,35H2,1H3,(H,37,40)(H,41,42).

What are the key properties of [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid?

[1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid has a molecular weight of 561.69 g/mol, XLogP of 6.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1'-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-ethylcarbamic acid is sourced from PubChem (CID 66757742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).