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

C18H23NO2 — CID 141114945

IUPACmethyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)N(CC(C)C)C=CC1c1ccccc1
InChIInChI=1S/C18H23NO2/c1-13(2)12-19-11-10-16(15-8-6-5-7-9-15)17(14(19)3)18(20)21-4/h5-11,13,16H,12H2,1-4H3
InChIKeyUDEFCIMBORYAJQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.70
Rot. Bonds4

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

methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 141114945) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID141114945
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namemethyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)N(CC(C)C)C=CC1c1ccccc1
InChIInChI=1S/C18H23NO2/c1-13(2)12-19-11-10-16(15-8-6-5-7-9-15)17(14(19)3)18(20)21-4/h5-11,13,16H,12H2,1-4H3
InChIKeyUDEFCIMBORYAJQ-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
CID 102526319
ethyl 1-hexyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 102046008
methyl 1-benzyl-4-phenyl-4H-pyridine-3-carboxylate
CID 101023603
3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 71606466
methyl 6-(3-methoxyphenyl)-4-methyl-3-(2-methylpropyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 56588729
methyl 2-methyl-4-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
CID 66572364
methyl (6S)-6-(2-chlorophenyl)-4-methyl-3-(2-methylpropyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 32955320
methyl benzoate;2-methylpropan-1-ol
CID 69407319
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
methyl 3-[(4-chlorophenyl)methyl]-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 56588733
dimethyl 1-[(4-chlorophenyl)methyl]-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 175446612

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate (CID 141114945) is methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate is COC(=O)C1=C(C)N(CC(C)C)C=CC1c1ccccc1.
What is the InChIKey of methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is UDEFCIMBORYAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)12-19-11-10-16(15-8-6-5-7-9-15)17(14(19)3)18(20)21-4/h5-11,13,16H,12H2,1-4H3.
What are the key properties of methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate?
methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-(2-methylpropyl)-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 141114945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).