ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate

C15H21N3O — CID 143937144

IUPACethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate
SMILES[H]/N=C(\OCC)C1=C(N)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H21N3O/c1-2-19-15(17)13-11-18(9-8-14(13)16)10-12-6-4-3-5-7-12/h3-7,17H,2,8-11,16H2,1H3/b17-15-
InChIKeyANKBYUNQMFHUFX-ICFOKQHNSA-N
MW259.35 g/mol
LogP2.12
Rot. Bonds4

About ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate

ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate (PubChem CID 143937144) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate.

Molecular Properties

Compound Nameethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate
PubChem CID143937144
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Nameethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate
SMILES[H]/N=C(\OCC)C1=C(N)CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H21N3O/c1-2-19-15(17)13-11-18(9-8-14(13)16)10-12-6-4-3-5-7-12/h3-7,17H,2,8-11,16H2,1H3/b17-15-
InChIKeyANKBYUNQMFHUFX-ICFOKQHNSA-N
XLogP2.12
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate?
The IUPAC name of ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate (CID 143937144) is ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate.
What is the SMILES notation for ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate?
The canonical SMILES for ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate is [H]/N=C(\OCC)C1=C(N)CCN(Cc2ccccc2)C1.
What is the InChIKey of ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate?
The InChIKey is ANKBYUNQMFHUFX-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-19-15(17)13-11-18(9-8-14(13)16)10-12-6-4-3-5-7-12/h3-7,17H,2,8-11,16H2,1H3/b17-15-.
What are the key properties of ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate?
ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate has a molecular weight of 259.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate is sourced from PubChem (CID 143937144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).