diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate

C20H24ClNO4 — CID 1299443

IUPACdiethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1ccccc1Cl
InChIInChI=1S/C20H24ClNO4/c1-5-25-19(23)15-11-22(13(3)4)12-16(20(24)26-6-2)18(15)14-9-7-8-10-17(14)21/h7-13,18H,5-6H2,1-4H3
InChIKeyNRIXBWYSLDTJBE-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.04
Rot. Bonds6

About diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate

diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate (PubChem CID 1299443) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate
PubChem CID1299443
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Namediethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1ccccc1Cl
InChIInChI=1S/C20H24ClNO4/c1-5-25-19(23)15-11-22(13(3)4)12-16(20(24)26-6-2)18(15)14-9-7-8-10-17(14)21/h7-13,18H,5-6H2,1-4H3
InChIKeyNRIXBWYSLDTJBE-UHFFFAOYSA-N
XLogP4.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 4-(2-chlorophenyl)-1-[(1S)-1-phenylethyl]-4H-pyridine-3,5-dicarboxylate
CID 1201776
diethyl 4-(3-nitrophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate
CID 3995516
dimethyl 4-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 1287213
ethyl 2-[2-(2-chlorophenyl)-2-oxoacetyl]benzoate
CID 102105830
5-O-ethyl 3-O-methyl 4-(2-chlorophenyl)-2-(hydroxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 143117884
ethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 5153329
diethyl 1-(4-ethoxyphenyl)-4-(2-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1335209
dimethyl 4-(3-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate
CID 775751
disodium;4-(2-chlorophenyl)-1-ethyl-6-methyl-5-propan-2-yloxycarbonyl-4H-pyridine-2,3-dicarboxylate
CID 21284343
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252
cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 86338840
diethyl 2-(benzylsulfanylmethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 19831142

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate (CID 1299443) is diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1ccccc1Cl.
What is the InChIKey of diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is NRIXBWYSLDTJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-5-25-19(23)15-11-22(13(3)4)12-16(20(24)26-6-2)18(15)14-9-7-8-10-17(14)21/h7-13,18H,5-6H2,1-4H3.
What are the key properties of diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 377.87 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(2-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1299443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).