N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide

C27H31N3O3 — CID 42248559

About N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide

N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide (PubChem CID 42248559) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
• PubChem CID: 42248559
• Molecular Formula: C27H31N3O3
• Molecular Weight: 445.56 g/mol
• Exact Mass: 445.24
• IUPAC Name: N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
• SMILES: CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)C1=CCCC1)CC2
• InChI: InChI=1S/C27H31N3O3/c1-2-33-24-23(29-25(31)20-10-7-15-28-18-20)21-11-5-6-12-22(21)27(24)13-16-30(17-14-27)26(32)19-8-3-4-9-19/h5-8,10-12,15,18,23-24H,2-4,9,13-14,16-17H2,1H3,(H,29,31)/t23-,24+/m1/s1
• InChIKey: RMCPOCGLHNLFFC-RPWUZVMVSA-N
• XLogP: 3.94
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.56
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide (CID 42248559) is N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide is CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)C1=CCCC1)CC2.

What is the InChIKey of N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?

The InChIKey is RMCPOCGLHNLFFC-RPWUZVMVSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-2-33-24-23(29-25(31)20-10-7-15-28-18-20)21-11-5-6-12-22(21)27(24)13-16-30(17-14-27)26(32)19-8-3-4-9-19/h5-8,10-12,15,18,23-24H,2-4,9,13-14,16-17H2,1H3,(H,29,31)/t23-,24+/m1/s1.

What are the key properties of N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?

N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42248559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).