ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate

C20H22N2O2 — CID 3481945

IUPACethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(N)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-24-20(23)18-16(21)13-17(14-9-5-3-6-10-14)22-19(18)15-11-7-4-8-12-15/h3-12,17,19,22H,2,13,21H2,1H3
InChIKeyQHPMSQMNAPOMBZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.24
Rot. Bonds4

About ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate

ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate (PubChem CID 3481945) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate
PubChem CID3481945
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Nameethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(N)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-24-20(23)18-16(21)13-17(14-9-5-3-6-10-14)22-19(18)15-11-7-4-8-12-15/h3-12,17,19,22H,2,13,21H2,1H3
InChIKeyQHPMSQMNAPOMBZ-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate (CID 3481945) is ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate is CCOC(=O)C1=C(N)CC(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate?
The InChIKey is QHPMSQMNAPOMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-24-20(23)18-16(21)13-17(14-9-5-3-6-10-14)22-19(18)15-11-7-4-8-12-15/h3-12,17,19,22H,2,13,21H2,1H3.
What are the key properties of ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate?
ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2,6-diphenyl-1,2,3,6-tetrahydropyridine-5-carboxylate is sourced from PubChem (CID 3481945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).