methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate

C21H21NO2 — CID 102526319

IUPACmethyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)N(c2ccc(C)cc2)C=CC1c1ccccc1
InChIInChI=1S/C21H21NO2/c1-15-9-11-18(12-10-15)22-14-13-19(17-7-5-4-6-8-17)20(16(22)2)21(23)24-3/h4-14,19H,1-3H3
InChIKeyUFNLVQZYVLZNJK-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.56
Rot. Bonds3

About methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate

methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 102526319) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID102526319
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Namemethyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)N(c2ccc(C)cc2)C=CC1c1ccccc1
InChIInChI=1S/C21H21NO2/c1-15-9-11-18(12-10-15)22-14-13-19(17-7-5-4-6-8-17)20(16(22)2)21(23)24-3/h4-14,19H,1-3H3
InChIKeyUFNLVQZYVLZNJK-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate
CID 141114945
S-tert-butyl 1-(4-chlorophenyl)-2-methyl-4-phenyl-4H-pyridine-3-carbothioate
CID 102277371
methyl (6S)-4-methyl-3-(4-methylphenyl)-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8970050
dimethyl 4-(4-methylphenyl)-4H-pyridine-1,3-dicarboxylate
CID 134933594
ethyl 1-hexyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 102046008
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
methyl (4S,5R)-1-(4-nitrophenyl)-4,5-diphenyl-4,5-dihydroazepine-2-carboxylate
CID 101159427
methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate
CID 101023603
methyl (2S,6R)-4-(4-methylanilino)-1-(4-methylphenyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 122202230
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
methyl (6S)-6-(3-fluorophenyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8970077
methyl 6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920750

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate (CID 102526319) is methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate is COC(=O)C1=C(C)N(c2ccc(C)cc2)C=CC1c1ccccc1.
What is the InChIKey of methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is UFNLVQZYVLZNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15-9-11-18(12-10-15)22-14-13-19(17-7-5-4-6-8-17)20(16(22)2)21(23)24-3/h4-14,19H,1-3H3.
What are the key properties of methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate?
methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 102526319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).