ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate

C21H24N2O2 — CID 23650507

IUPACethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-2-25-21(24)19-16-23(15-17-9-5-3-6-10-17)14-13-20(19)22-18-11-7-4-8-12-18/h3-12,22H,2,13-16H2,1H3
InChIKeyAICAAFGSJVPUBF-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.82
Rot. Bonds6

About ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 23650507) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID23650507
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Nameethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-2-25-21(24)19-16-23(15-17-9-5-3-6-10-17)14-13-20(19)22-18-11-7-4-8-12-18/h3-12,22H,2,13-16H2,1H3
InChIKeyAICAAFGSJVPUBF-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1952833
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Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
Ethyl 2-oxo-4-(piperidin-1-yl)-1,2-dihydroquinoline-3-carboxylate
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6-methyl-4-(3-toluidino)-5,6-dihydro-2H-pyran-2-one
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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
Ethyl 1,2,6-triphenyl-4-(phenylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate
CID 12574259
ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 23650507) is ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(Nc2ccccc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is AICAAFGSJVPUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-25-21(24)19-16-23(15-17-9-5-3-6-10-17)14-13-20(19)22-18-11-7-4-8-12-18/h3-12,22H,2,13-16H2,1H3.
What are the key properties of ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 23650507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).