2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C21H24N2O2 — CID 71575224

IUPAC2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1
InChIInChI=1S/C21H24N2O2/c1-2-23-14-10-19(18-6-4-3-5-7-18)20(16-23)21(24)25-15-11-17-8-12-22-13-9-17/h3-9,12-13H,2,10-11,14-16H2,1H3
InChIKeyWYXGHKGJTWRLPO-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.35
Rot. Bonds6

About 2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 71575224) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Name2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID71575224
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1
InChIInChI=1S/C21H24N2O2/c1-2-23-14-10-19(18-6-4-3-5-7-18)20(16-23)21(24)25-15-11-17-8-12-22-13-9-17/h3-9,12-13H,2,10-11,14-16H2,1H3
InChIKeyWYXGHKGJTWRLPO-UHFFFAOYSA-N
XLogP3.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of 2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 71575224) is 2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for 2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for 2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1.
What is the InChIKey of 2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is WYXGHKGJTWRLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-23-14-10-19(18-6-4-3-5-7-18)20(16-23)21(24)25-15-11-17-8-12-22-13-9-17/h3-9,12-13H,2,10-11,14-16H2,1H3.
What are the key properties of 2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 71575224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).