methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate

C23H21NO3 — CID 134836490

IUPACmethyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CC(CC(=O)c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C23H21NO3/c1-27-23(26)19-12-13-21(24-16-19)14-20(17-8-4-2-5-9-17)15-22(25)18-10-6-3-7-11-18/h2-13,16,20H,14-15H2,1H3
InChIKeyKFTBTSNJSYDXLZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.47
Rot. Bonds7

About methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate

methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate (PubChem CID 134836490) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate
PubChem CID134836490
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Namemethyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CC(CC(=O)c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C23H21NO3/c1-27-23(26)19-12-13-21(24-16-19)14-20(17-8-4-2-5-9-17)15-22(25)18-10-6-3-7-11-18/h2-13,16,20H,14-15H2,1H3
InChIKeyKFTBTSNJSYDXLZ-UHFFFAOYSA-N
XLogP4.47
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
(3R)-1,3-diphenylpentan-1-one
CID 11042799
methyl 6-[(R)-bromo(phenyl)methyl]pyridine-3-carboxylate
CID 99864587
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one
CID 52937193
(3R)-7-methyl-1,3,5-triphenylocta-5,6-dien-1-one
CID 101258032
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
(3R)-4-(4-tert-butylphenyl)-1,3-diphenylbutan-1-one
CID 101258013
methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate
CID 162443610
(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
methyl 6-(3-aminopropyl)pyridine-3-carboxylate
CID 57039015

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate (CID 134836490) is methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate is COC(=O)c1ccc(CC(CC(=O)c2ccccc2)c2ccccc2)nc1.
What is the InChIKey of methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate?
The InChIKey is KFTBTSNJSYDXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-27-23(26)19-12-13-21(24-16-19)14-20(17-8-4-2-5-9-17)15-22(25)18-10-6-3-7-11-18/h2-13,16,20H,14-15H2,1H3.
What are the key properties of methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate?
methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-oxo-2,4-diphenylbutyl)pyridine-3-carboxylate is sourced from PubChem (CID 134836490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).