nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate

C23H35NO2 — CID 10522336

IUPACnonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate
SMILESCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1
InChIInChI=1S/C23H35NO2/c1-3-5-6-7-8-9-13-18-26-23(25)22-19-24(4-2)17-16-21(22)20-14-11-10-12-15-20/h10-12,14-16,22H,3-9,13,17-19H2,1-2H3
InChIKeyLOZFSJRXJHXNTK-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.32
Rot. Bonds11

About nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate

nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate (PubChem CID 10522336) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate.

Molecular Properties

Compound Namenonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate
PubChem CID10522336
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Namenonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate
SMILESCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1
InChIInChI=1S/C23H35NO2/c1-3-5-6-7-8-9-13-18-26-23(25)22-19-24(4-2)17-16-21(22)20-14-11-10-12-15-20/h10-12,14-16,22H,3-9,13,17-19H2,1-2H3
InChIKeyLOZFSJRXJHXNTK-UHFFFAOYSA-N
XLogP5.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
The IUPAC name of nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate (CID 10522336) is nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate.
What is the SMILES notation for nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
The canonical SMILES for nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate is CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1.
What is the InChIKey of nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
The InChIKey is LOZFSJRXJHXNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-3-5-6-7-8-9-13-18-26-23(25)22-19-24(4-2)17-16-21(22)20-14-11-10-12-15-20/h10-12,14-16,22H,3-9,13,17-19H2,1-2H3.
What are the key properties of nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate?
nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate has a molecular weight of 357.54 g/mol, XLogP of 5.32, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate is sourced from PubChem (CID 10522336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).