N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide

C30H31N3O4 — CID 42449869

About N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide

N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide (PubChem CID 42449869) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide
• PubChem CID: 42449869
• Molecular Formula: C30H31N3O4
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.23
• IUPAC Name: N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide
• SMILES: COc1ccc(/C=C/C(=O)N2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccccn2)[C@@H]3OC)cc1
• InChI: InChI=1S/C30H31N3O4/c1-36-22-13-10-21(11-14-22)12-15-26(34)33-19-16-30(17-20-33)24-8-4-3-7-23(24)27(28(30)37-2)32-29(35)25-9-5-6-18-31-25/h3-15,18,27-28H,16-17,19-20H2,1-2H3,(H,32,35)/b15-12+/t27-,28+/m1/s1
• InChIKey: AHVDBNVPKIQUOL-XFBYRDQZSA-N
• XLogP: 4.16
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide?

The IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide (CID 42449869) is N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide is COc1ccc(/C=C/C(=O)N2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccccn2)[C@@H]3OC)cc1.

What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide?

The InChIKey is AHVDBNVPKIQUOL-XFBYRDQZSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-36-22-13-10-21(11-14-22)12-15-26(34)33-19-16-30(17-20-33)24-8-4-3-7-23(24)27(28(30)37-2)32-29(35)25-9-5-6-18-31-25/h3-15,18,27-28H,16-17,19-20H2,1-2H3,(H,32,35)/b15-12+/t27-,28+/m1/s1.

What are the key properties of N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide?

N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 42449869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).