ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride

C22H27ClN2O2 — CID 3076328

IUPACethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
SMILESCCOC(=O)C1=C(Nc2ccccc2)CCN(CCc2ccccc2)C1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-2-26-22(25)20-17-24(15-13-18-9-5-3-6-10-18)16-14-21(20)23-19-11-7-4-8-12-19;/h3-12,23H,2,13-17H2,1H3;1H
InChIKeyHGVGRCPGNVTUHY-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.29
Rot. Bonds7

About ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride

ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride (PubChem CID 3076328) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
PubChem CID3076328
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Nameethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
SMILESCCOC(=O)C1=C(Nc2ccccc2)CCN(CCc2ccccc2)C1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-2-26-22(25)20-17-24(15-13-18-9-5-3-6-10-18)16-14-21(20)23-19-11-7-4-8-12-19;/h3-12,23H,2,13-17H2,1H3;1H
InChIKeyHGVGRCPGNVTUHY-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride (CID 3076328) is ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride is CCOC(=O)C1=C(Nc2ccccc2)CCN(CCc2ccccc2)C1.Cl.
What is the InChIKey of ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
The InChIKey is HGVGRCPGNVTUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c1-2-26-22(25)20-17-24(15-13-18-9-5-3-6-10-18)16-14-21(20)23-19-11-7-4-8-12-19;/h3-12,23H,2,13-17H2,1H3;1H.
What are the key properties of ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride?
ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride is sourced from PubChem (CID 3076328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).