dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate

C23H23NO4 — CID 132557464

IUPACdimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate
SMILESCOC(=O)C1=CC(c2ccccc2)N(c2cc(C)cc(C)c2)C=C1C(=O)OC
InChIInChI=1S/C23H23NO4/c1-15-10-16(2)12-18(11-15)24-14-20(23(26)28-4)19(22(25)27-3)13-21(24)17-8-6-5-7-9-17/h5-14,21H,1-4H3
InChIKeyIHDKLQRCBYBLCN-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.02
Rot. Bonds4

About dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate

dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate (PubChem CID 132557464) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate
PubChem CID132557464
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namedimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate
SMILESCOC(=O)C1=CC(c2ccccc2)N(c2cc(C)cc(C)c2)C=C1C(=O)OC
InChIInChI=1S/C23H23NO4/c1-15-10-16(2)12-18(11-15)24-14-20(23(26)28-4)19(22(25)27-3)13-21(24)17-8-6-5-7-9-17/h5-14,21H,1-4H3
InChIKeyIHDKLQRCBYBLCN-UHFFFAOYSA-N
XLogP4.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (3Z,5E,7E)-1-benzhydryl-2H-azocine-6,7-dicarboxylate
CID 5358742
methyl (E)-3-[3-[[4-(3-methylphenyl)phenyl]methyl-(2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 10884439
Mls003115460
CID 5358733
methyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483871
methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483875
Ethyl 1,2-diphenyl-5-(trifluoromethyl)-2,3-dihydroazepine-6-carboxylate
CID 138963936
1H-1-Benzazepine-3,4-dicarboxylic acid, 1-methyl-, dimethyl ester
CID 623350
methyl (E)-3-[3-[benzyl(methyl)amino]-5-fluorophenyl]prop-2-enoate
CID 143384047
dimethyl (2E)-2-[[4-(dimethylamino)phenyl]methylidene]butanedioate
CID 11482801
Dimethyl 1,5-dimethyl-1h-1-benzoazepine-3,4-dicarboxylate
CID 12428509
Dimethyl 1,2,5-trimethyl-1-benzazepine-3,4-dicarboxylate
CID 13143653
ethyl 2-ethyl-1,4-diphenyl-2H-pyridine-5-carboxylate
CID 53231731

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate?
The IUPAC name of dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate (CID 132557464) is dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate is COC(=O)C1=CC(c2ccccc2)N(c2cc(C)cc(C)c2)C=C1C(=O)OC.
What is the InChIKey of dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate?
The InChIKey is IHDKLQRCBYBLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15-10-16(2)12-18(11-15)24-14-20(23(26)28-4)19(22(25)27-3)13-21(24)17-8-6-5-7-9-17/h5-14,21H,1-4H3.
What are the key properties of dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate?
dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(3,5-dimethylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate is sourced from PubChem (CID 132557464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).