ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate

C18H21NO2 — CID 116533372

IUPACethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C18H21NO2/c1-5-21-18(20)15-11-13(4)17(19-16(15)12(2)3)14-9-7-6-8-10-14/h6-12H,5H2,1-4H3
InChIKeyWLSBQDBDPMZKRX-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.36
Rot. Bonds4

About ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate

ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate (PubChem CID 116533372) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
PubChem CID116533372
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C18H21NO2/c1-5-21-18(20)15-11-13(4)17(19-16(15)12(2)3)14-9-7-6-8-10-14/h6-12H,5H2,1-4H3
InChIKeyWLSBQDBDPMZKRX-UHFFFAOYSA-N
XLogP4.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate
CID 134999030
5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533443
ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate
CID 116533326
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid
CID 116533425
ethyl 2-(3-chlorophenyl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102973010
ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate
CID 116532839
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate (CID 116533372) is ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate is CCOC(=O)c1cc(C)c(-c2ccccc2)nc1C(C)C.
What is the InChIKey of ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate?
The InChIKey is WLSBQDBDPMZKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-5-21-18(20)15-11-13(4)17(19-16(15)12(2)3)14-9-7-6-8-10-14/h6-12H,5H2,1-4H3.
What are the key properties of ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate?
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 116533372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).