diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate

C24H27NO4 — CID 15170358

IUPACdiethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccc2ccccc12
InChIInChI=1S/C24H27NO4/c1-6-28-23(26)20-15(3)25(5)16(4)21(24(27)29-7-2)22(20)19-14-10-12-17-11-8-9-13-18(17)19/h8-14,22H,6-7H2,1-5H3
InChIKeyFUHFIDRTYLKOBU-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.54
Rot. Bonds5

About diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate

diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate (PubChem CID 15170358) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate
PubChem CID15170358
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Namediethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccc2ccccc12
InChIInChI=1S/C24H27NO4/c1-6-28-23(26)20-15(3)25(5)16(4)21(24(27)29-7-2)22(20)19-14-10-12-17-11-8-9-13-18(17)19/h8-14,22H,6-7H2,1-5H3
InChIKeyFUHFIDRTYLKOBU-UHFFFAOYSA-N
XLogP4.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-O-ethyl 3-O-methyl (3S,4R)-1,6-dimethyl-4-naphthalen-1-yl-3,4-dihydro-2H-pyridine-3,5-dicarboxylate
CID 139095878
benzyl 3,4-dimethyl-6-naphthalen-1-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2794048
diethyl 2-(dimethylamino)-4-(2-formylphenyl)-1,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 86746312
ethyl (4R)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691366
ethyl (6R)-6-(2-bromophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 9449390
diethyl 1-ethyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
CID 139939569
benzyl 4,5-dimethyl-2-naphthalen-1-yl-5,7-diaza-1-azoniabicyclo[4.2.0]octa-1(6),3,7-triene-3-carboxylate
CID 91074031
ethyl 6-(2-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2864928
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
ethyl chrysene-1-carboxylate
CID 86251232
ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate
CID 140989258

Frequently Asked Questions

What is the IUPAC name of diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate (CID 15170358) is diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccc2ccccc12.
What is the InChIKey of diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is FUHFIDRTYLKOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-6-28-23(26)20-15(3)25(5)16(4)21(24(27)29-7-2)22(20)19-14-10-12-17-11-8-9-13-18(17)19/h8-14,22H,6-7H2,1-5H3.
What are the key properties of diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate?
diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 393.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 15170358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).