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

C23H25NO2 — CID 45483886

IUPACmethyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate
SMILESCC1=C(C(=CC=C1)N2C=C(C(C(=C2C)C(=O)OC)C3=CC=CC=C3)C)C
InChIInChI=1S/C23H25NO2/c1-15-10-9-13-20(17(15)3)24-14-16(2)21(19-11-7-6-8-12-19)22(18(24)4)23(25)26-5/h6-14,21H,1-5H3
InChIKeyLBRKLVUYYHWYMV-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.90
Rot. Bonds4

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

methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 45483886) has the molecular formula C23H25NO2 and a molecular weight of 347.40 g/mol. Its IUPAC name is methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID45483886
Molecular FormulaC23H25NO2
Molecular Weight347.40 g/mol
Exact Mass347.19
IUPAC Namemethyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate
SMILESCC1=C(C(=CC=C1)N2C=C(C(C(=C2C)C(=O)OC)C3=CC=CC=C3)C)C
InChIInChI=1S/C23H25NO2/c1-15-10-9-13-20(17(15)3)24-14-16(2)21(19-11-7-6-8-12-19)22(18(24)4)23(25)26-5/h6-14,21H,1-5H3
InChIKeyLBRKLVUYYHWYMV-UHFFFAOYSA-N
XLogP4.90
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity585

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl 4-[3-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 44306875
1-(3,4-Dimethyl-phenyl)-4-(2-fluoro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
CID 630047
(E)-3-[3-(Benzyl-cyclohexanecarbonyl-amino)-phenyl]-acrylic acid methyl ester
CID 11100907
Dimethyl 1-(3,5-dimethylphenyl)-4-(3-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1298163
Ethyl 1-[(2-methylphenyl)methyl]-2-oxoquinoline-4-carboxylate
CID 5067419
ethyl 1-(4-fluorophenyl)-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 11439125
ethyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483891
ethyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
CID 45483899
ethyl 1-(4-chlorophenyl)-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 45483909
Ammonium, (p-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)benzyldimethyl-, iodide
CID 48486
Ammonium, (m-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)trimethyl-, iodide
CID 48492
2(5H)Furanone, 3-benzyl-4-(N-(2-(dimethylamino)ethyl)-N-phenylamino)-
CID 54127

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate (CID 45483886) is methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate is CC1=C(C(=CC=C1)N2C=C(C(C(=C2C)C(=O)OC)C3=CC=CC=C3)C)C.
What is the InChIKey of methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is LBRKLVUYYHWYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-15-10-9-13-20(17(15)3)24-14-16(2)21(19-11-7-6-8-12-19)22(18(24)4)23(25)26-5/h6-14,21H,1-5H3.
What are the key properties of methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate?
methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 347.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 45483886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).