ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate

C19H25NO2 — CID 170528718

IUPACethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)C(CC)=C(C)N(C)C1C
InChIInChI=1S/C19H25NO2/c1-6-16-13(3)20(5)14(4)17(19(21)22-7-2)18(16)15-11-9-8-10-12-15/h8-12,14H,6-7H2,1-5H3
InChIKeyBWPCOLXVXMHJLB-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.02
Rot. Bonds4

About ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate

ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate (PubChem CID 170528718) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate
PubChem CID170528718
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Nameethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)C(CC)=C(C)N(C)C1C
InChIInChI=1S/C19H25NO2/c1-6-16-13(3)20(5)14(4)17(19(21)22-7-2)18(16)15-11-9-8-10-12-15/h8-12,14H,6-7H2,1-5H3
InChIKeyBWPCOLXVXMHJLB-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2,6-dimethyl-4-phenyl-1,2-dihydropyridine-3,5-dicarboxylate
CID 141416845
ethyl (2R)-5-oxo-4-phenyl-2-propan-2-yl-2H-furan-3-carboxylate
CID 101448168
ethyl (4R,5R)-3-oxo-2,4,5-triphenylcyclopentene-1-carboxylate
CID 132560560
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
diethyl (2S)-4-phenyl-2H-chromene-2,3-dicarboxylate
CID 11772543
ethyl 1-butyl-2,5-dioxo-4-phenylpyrrole-3-carboxylate
CID 132534436
ethyl 2-phenylcyclohexene-1-carboxylate
CID 15667923
ethyl 2-butyl-5-oxo-4-phenyl-2H-furan-3-carboxylate
CID 86084941
diethyl (1R,2S)-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 92844906
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate (CID 170528718) is ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate is CCOC(=O)C1=C(c2ccccc2)C(CC)=C(C)N(C)C1C.
What is the InChIKey of ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate?
The InChIKey is BWPCOLXVXMHJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-6-16-13(3)20(5)14(4)17(19(21)22-7-2)18(16)15-11-9-8-10-12-15/h8-12,14H,6-7H2,1-5H3.
What are the key properties of ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate?
ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-1,2,6-trimethyl-4-phenyl-2H-pyridine-3-carboxylate is sourced from PubChem (CID 170528718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).