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

C22H26N2O2 — CID 3076329

IUPACethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)CCN(CCc2ccccc2)C1
InChIInChI=1S/C22H26N2O2/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
InChIKeyJCLLCBFHYOHXIT-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.86
Rot. Bonds7

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

ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 3076329) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID3076329
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Nameethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)CCN(CCc2ccccc2)C1
InChIInChI=1S/C22H26N2O2/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
InChIKeyJCLLCBFHYOHXIT-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-amino-1-octyl-2-oxoquinoline-3-carboxylate
CID 1952833
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
Ethyl 2-oxo-4-(piperidin-1-yl)-1,2-dihydroquinoline-3-carboxylate
CID 913206
ethyl (E)-4-[2-[2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate
CID 5730500
6-(4-Dimethylamino-phenyl)-1-methyl-2-oxo-5-phenyl-1,2-dihydro-pyridine-3-carboxylic acid methyl ester
CID 11078961
Ethyl (2z)-3-(biphenyl-3-ylamino)-2-cyanoprop-2-enoate
CID 16102644
ethyl (2S,6R)-4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 101562530
Ethyl 4-(butylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 652591
Ethyl 4-{[2-(dimethylamino)ethyl]amino}-2-hydroxyquinoline-3-carboxylate
CID 913126
Methyl 4-amino-1-heptyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 1607557
ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 25135723

Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate (CID 3076329) is ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(Nc2ccccc2)CCN(CCc2ccccc2)C1.
What is the InChIKey of ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is JCLLCBFHYOHXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/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.
What are the key properties of ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 3.86, 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 is sourced from PubChem (CID 3076329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).