dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate

C29H26N2O4 — CID 146675039

IUPACdimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c/c(=N\c2ccc(C)cc2)n(-c2ccc(C)cc2)c1C(=O)OC
InChIInChI=1S/C29H26N2O4/c1-19-10-14-22(15-11-19)30-25-18-24(21-8-6-5-7-9-21)26(28(32)34-3)27(29(33)35-4)31(25)23-16-12-20(2)13-17-23/h5-18H,1-4H3/b30-25+
InChIKeyRHGGQBCQEDFLSG-QCWLDUFUSA-N
MW466.54 g/mol
LogP5.57
Rot. Bonds5

About dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate

dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate (PubChem CID 146675039) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate
PubChem CID146675039
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Namedimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c/c(=N\c2ccc(C)cc2)n(-c2ccc(C)cc2)c1C(=O)OC
InChIInChI=1S/C29H26N2O4/c1-19-10-14-22(15-11-19)30-25-18-24(21-8-6-5-7-9-21)26(28(32)34-3)27(29(33)35-4)31(25)23-16-12-20(2)13-17-23/h5-18H,1-4H3/b30-25+
InChIKeyRHGGQBCQEDFLSG-QCWLDUFUSA-N
XLogP5.57
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dimethyl 2,3,6-triphenyl-3-azabicyclo[5.2.0]nona-1,4,6-triene-4,5-dicarboxylate
CID 10790259
Dimethyl 1-(4-methylphenyl)-4,6,6-triphenylpyridine-2,3-dicarboxylate
CID 102529388
Dimethyl 6-(butylimino)-1,4-diphenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675021
Dimethyl 1,4-diphenyl-6-(phenylimino)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675025
2,3-Pyridinedicarboxylic acid, 1,6-dihydro-6-oxo-1,4,5-triphenyl-, dimethyl ester
CID 634902
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate
CID 8608147
Ethyl 2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenyl]acetate
CID 21784674
Dimethyl 3-(4-methylphenyl)-6-(4-methylphenyl)imino-2-phenylpyrimidine-4,5-dicarboxylate
CID 102414172
Dimethyl 6-(4-methylphenyl)imino-2,3-diphenylpyrimidine-4,5-dicarboxylate
CID 102414173
Dimethyl 2,3-diphenyl-6-phenyliminopyrimidine-4,5-dicarboxylate
CID 102414175
Dimethyl 1,4-bis(4-methylphenyl)-6,6-diphenylpyridine-2,3-dicarboxylate
CID 102529382
Methyl 3-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-2-phenylprop-2-enoate
CID 169375282

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate (CID 146675039) is dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate is COC(=O)c1c(-c2ccccc2)c/c(=N\c2ccc(C)cc2)n(-c2ccc(C)cc2)c1C(=O)OC.
What is the InChIKey of dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate?
The InChIKey is RHGGQBCQEDFLSG-QCWLDUFUSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-19-10-14-22(15-11-19)30-25-18-24(21-8-6-5-7-9-21)26(28(32)34-3)27(29(33)35-4)31(25)23-16-12-20(2)13-17-23/h5-18H,1-4H3/b30-25+.
What are the key properties of dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate?
dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate has a molecular weight of 466.54 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(4-methylphenyl)-6-(4-methylphenyl)imino-4-phenylpyridine-2,3-dicarboxylate is sourced from PubChem (CID 146675039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).