diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate

C23H30N2O4 — CID 146675009

IUPACdiethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OCC
InChIInChI=1S/C23H30N2O4/c1-7-28-22(26)20-18(17-12-10-9-11-13-17)14-19(24-15(3)4)25(16(5)6)21(20)23(27)29-8-2/h9-16H,7-8H2,1-6H3/b24-19+
InChIKeyPMMJNAXYRNDWTM-LYBHJNIJSA-N
MW398.50 g/mol
LogP4.40
Rot. Bonds7

About diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate

diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate (PubChem CID 146675009) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
PubChem CID146675009
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Namediethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OCC
InChIInChI=1S/C23H30N2O4/c1-7-28-22(26)20-18(17-12-10-9-11-13-17)14-19(24-15(3)4)25(16(5)6)21(20)23(27)29-8-2/h9-16H,7-8H2,1-6H3/b24-19+
InChIKeyPMMJNAXYRNDWTM-LYBHJNIJSA-N
XLogP4.40
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dimethyl 1-isopropyl-6-(isopropylimino)-4-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675022
Methyl 1-isopropyl-6-(isopropylimino)-4-phenyl-1,6-dihydropyridine-3-carboxylate
CID 146674959
Ethyl 1-isopropyl-6-(isopropylimino)-2-methyl-4-phenyl-1,6-dihydropyridine-3-carboxylate
CID 146674971
Dimethyl 1-isopropyl-6-(isopropylimino)-4-phenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146674982
Dimethyl 1-isopropyl-6-(isopropylimino)-4-(p-tolyl)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146674995
Dimethyl 4-(4-chlorophenyl)-1-isopropyl-6-(isopropylimino)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146674996
Dimethyl 1-isopropyl-6-(isopropylimino)-4-(4-methoxyphenyl)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675007
Dimethyl 1-cyclohexyl-6-(cyclohexylimino)-4-phenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675026
Di-t-butyl 1-isopropyl-6-(isopropylimino)-4-phenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675027
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-fluorophenyl)acetate
CID 7549731
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-fluorophenyl)propanoate
CID 8286251
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluorophenyl)acetate
CID 8509885

Frequently Asked Questions

What is the IUPAC name of diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The IUPAC name of diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate (CID 146675009) is diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate.
What is the SMILES notation for diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The canonical SMILES for diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate is CCOC(=O)c1c(-c2ccccc2)c/c(=N\C(C)C)n(C(C)C)c1C(=O)OCC.
What is the InChIKey of diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
The InChIKey is PMMJNAXYRNDWTM-LYBHJNIJSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-7-28-22(26)20-18(17-12-10-9-11-13-17)14-19(24-15(3)4)25(16(5)6)21(20)23(27)29-8-2/h9-16H,7-8H2,1-6H3/b24-19+.
What are the key properties of diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate?
diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate has a molecular weight of 398.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate is sourced from PubChem (CID 146675009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).