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

C16H19NO2 — CID 135002207

IUPACmethyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate
SMILESCC[C@@H]1C=CN(c2ccccc2)C(C)=C1C(=O)OC
InChIInChI=1S/C16H19NO2/c1-4-13-10-11-17(14-8-6-5-7-9-14)12(2)15(13)16(18)19-3/h5-11,13H,4H2,1-3H3/t13-/m1/s1
InChIKeyWJVAPNMHJUDEPP-CYBMUJFWSA-N
MW257.33 g/mol
LogP3.49
Rot. Bonds3

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

methyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate (PubChem CID 135002207) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate
PubChem CID135002207
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namemethyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate
SMILESCC[C@@H]1C=CN(c2ccccc2)C(C)=C1C(=O)OC
InChIInChI=1S/C16H19NO2/c1-4-13-10-11-17(14-8-6-5-7-9-14)12(2)15(13)16(18)19-3/h5-11,13H,4H2,1-3H3/t13-/m1/s1
InChIKeyWJVAPNMHJUDEPP-CYBMUJFWSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate (CID 135002207) is methyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate is CC[C@@H]1C=CN(c2ccccc2)C(C)=C1C(=O)OC.
What is the InChIKey of methyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is WJVAPNMHJUDEPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO2/c1-4-13-10-11-17(14-8-6-5-7-9-14)12(2)15(13)16(18)19-3/h5-11,13H,4H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate?
methyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-ethyl-2-methyl-1-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 135002207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).