ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate

C15H20N2O2 — CID 91161439

IUPACethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2)C=C1N
InChIInChI=1S/C15H20N2O2/c1-2-19-15(18)13-8-9-17(11-14(13)16)10-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10,16H2,1H3
InChIKeyZPMJEFXVVMOWKB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.87
Rot. Bonds4

About ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate

ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate (PubChem CID 91161439) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate
PubChem CID91161439
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2)C=C1N
InChIInChI=1S/C15H20N2O2/c1-2-19-15(18)13-8-9-17(11-14(13)16)10-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10,16H2,1H3
InChIKeyZPMJEFXVVMOWKB-UHFFFAOYSA-N
XLogP1.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate
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1-O-benzyl 3-O-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
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ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
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ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
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CID 102218591
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate (CID 91161439) is ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccccc2)C=C1N.
What is the InChIKey of ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is ZPMJEFXVVMOWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-19-15(18)13-8-9-17(11-14(13)16)10-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10,16H2,1H3.
What are the key properties of ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate?
ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 91161439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).