2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C18H25NO2 — CID 10755733

IUPAC2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1
InChIInChI=1S/C18H25NO2/c1-4-19-11-10-16(15-8-6-5-7-9-15)17(12-19)18(20)21-13-14(2)3/h5-9,14H,4,10-13H2,1-3H3
InChIKeyFIMOHMGQXMTFNO-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.37
Rot. Bonds5

About 2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 10755733) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID10755733
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1
InChIInChI=1S/C18H25NO2/c1-4-19-11-10-16(15-8-6-5-7-9-15)17(12-19)18(20)21-13-14(2)3/h5-9,14H,4,10-13H2,1-3H3
InChIKeyFIMOHMGQXMTFNO-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of 2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 10755733) is 2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for 2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1.
What is the InChIKey of 2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is FIMOHMGQXMTFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-19-11-10-16(15-8-6-5-7-9-15)17(12-19)18(20)21-13-14(2)3/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of 2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 10755733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).