dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate

C23H28N2O4 — CID 15170368

IUPACdipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCCC)C1c1ccc(C#N)cc1
InChIInChI=1S/C23H28N2O4/c1-6-12-28-22(26)19-15(3)25(5)16(4)20(23(27)29-13-7-2)21(19)18-10-8-17(14-24)9-11-18/h8-11,21H,6-7,12-13H2,1-5H3
InChIKeyBEBLOJUXJVZJKA-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.04
Rot. Bonds7

About dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate

dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 15170368) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
PubChem CID15170368
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Namedipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCCC)C1c1ccc(C#N)cc1
InChIInChI=1S/C23H28N2O4/c1-6-12-28-22(26)19-15(3)25(5)16(4)20(23(27)29-13-7-2)21(19)18-10-8-17(14-24)9-11-18/h8-11,21H,6-7,12-13H2,1-5H3
InChIKeyBEBLOJUXJVZJKA-UHFFFAOYSA-N
XLogP4.04
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-O-(2-methoxyethyl) 5-O-propan-2-yl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
CID 19016588
5-O-ethyl 3-O-(2-trimethylsilylethyl) 2-amino-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 58922512
3-O-(2-methoxyethyl) 5-O-propan-2-yl 4-(4-butylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
CID 166673279
3-O-ethyl 5-O-(2-hydroxyethyl) 2-amino-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 58922517
3-O-butyl 5-O-propan-2-yl 2-amino-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 58922450
propyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2863930
pentyl 4-cyanobenzoate
CID 531615
propyl 3-cyanobenzoate
CID 43389575
3-O-butyl 5-O-[(2S)-4-hydroxy-3-oxopentan-2-yl] 2-amino-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 67556113
3-O-(2-cyanoethyl) 5-O-(3-phenylprop-2-enyl) 4-(4-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 139843494
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
diethyl 1,2,6-trimethyl-4-(4-pyridin-3-ylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 67690089

Frequently Asked Questions

What is the IUPAC name of dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate (CID 15170368) is dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate is CCCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCCC)C1c1ccc(C#N)cc1.
What is the InChIKey of dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is BEBLOJUXJVZJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-6-12-28-22(26)19-15(3)25(5)16(4)20(23(27)29-13-7-2)21(19)18-10-8-17(14-24)9-11-18/h8-11,21H,6-7,12-13H2,1-5H3.
What are the key properties of dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 396.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 15170368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).