tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate

C26H24N2O11 — CID 53473535

IUPACtetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(OC)cc2)C(C(=O)OC)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C26H24N2O11/c1-35-17-11-9-15(10-12-17)27-21(25(31)38-4)19(23(29)36-2)18(14-7-6-8-16(13-14)28(33)34)20(24(30)37-3)22(27)26(32)39-5/h6-13,18H,1-5H3
InChIKeyLCFVJGHPJNJPGL-UHFFFAOYSA-N
MW540.48 g/mol
LogP2.41
Rot. Bonds8

About tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate

tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate (PubChem CID 53473535) has the molecular formula C26H24N2O11 and a molecular weight of 540.48 g/mol. Its IUPAC name is tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate
PubChem CID53473535
Molecular FormulaC26H24N2O11
Molecular Weight540.48 g/mol
Exact Mass540.14
IUPAC Nametetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(OC)cc2)C(C(=O)OC)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C26H24N2O11/c1-35-17-11-9-15(10-12-17)27-21(25(31)38-4)19(23(29)36-2)18(14-7-6-8-16(13-14)28(33)34)20(24(30)37-3)22(27)26(32)39-5/h6-13,18H,1-5H3
InChIKeyLCFVJGHPJNJPGL-UHFFFAOYSA-N
XLogP2.41
TPSA160.81 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.48
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (6S)-3-(4-chlorophenyl)-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylate
CID 95384590
5-O-[(4-methoxyphenyl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 46887809
diethyl 6-amino-5-carbamoyl-1-(4-chlorophenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3-dicarboxylate
CID 139222661
methyl (4R,7R)-7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1235300
dimethyl 2-formyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 12896949
methyl 2-amino-4-methyl-6-(3-nitrophenyl)-6H-1,3-thiazine-5-carboxylate
CID 72725481
methyl (4S)-1,3,6-trimethyl-4-(3-nitrophenyl)-2-oxo-4H-pyrimidine-5-carboxylate
CID 748134
dimethyl 2-(dimethoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 12896950
methyl (6R)-4-methyl-6-(3-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 7993931
methyl 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate
CID 3727162
5-O-[2-[4-(2-aminoethyl)phenoxy]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 70393862
(4R)-1-(ethoxymethyl)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid
CID 12602969

Frequently Asked Questions

What is the IUPAC name of tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate?
The IUPAC name of tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate (CID 53473535) is tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate.
What is the SMILES notation for tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate?
The canonical SMILES for tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate is COC(=O)C1=C(C(=O)OC)N(c2ccc(OC)cc2)C(C(=O)OC)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate?
The InChIKey is LCFVJGHPJNJPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O11/c1-35-17-11-9-15(10-12-17)27-21(25(31)38-4)19(23(29)36-2)18(14-7-6-8-16(13-14)28(33)34)20(24(30)37-3)22(27)26(32)39-5/h6-13,18H,1-5H3.
What are the key properties of tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate?
tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate has a molecular weight of 540.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 1-(4-methoxyphenyl)-4-(3-nitrophenyl)-4H-pyridine-2,3,5,6-tetracarboxylate is sourced from PubChem (CID 53473535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).