4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one

C21H21NO2 — CID 58267209

IUPAC4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one
SMILESCc1cc(-c2ccc(CC(=O)CC(C)c3ccco3)cc2)ccn1
InChIInChI=1S/C21H21NO2/c1-15(21-4-3-11-24-21)12-20(23)14-17-5-7-18(8-6-17)19-9-10-22-16(2)13-19/h3-11,13,15H,12,14H2,1-2H3
InChIKeyFRKVKQJJNVSGGZ-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.96
Rot. Bonds6

About 4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one

4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one (PubChem CID 58267209) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one
PubChem CID58267209
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one
SMILESCc1cc(-c2ccc(CC(=O)CC(C)c3ccco3)cc2)ccn1
InChIInChI=1S/C21H21NO2/c1-15(21-4-3-11-24-21)12-20(23)14-17-5-7-18(8-6-17)19-9-10-22-16(2)13-19/h3-11,13,15H,12,14H2,1-2H3
InChIKeyFRKVKQJJNVSGGZ-UHFFFAOYSA-N
XLogP4.96
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one
CID 58267215
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-methylsulfanylphenyl)propan-2-one
CID 58267060
3-[3-[4-(2-methyl-4-pyridinyl)phenyl]-2-oxopropyl]benzonitrile
CID 58267146
1-(2-chloro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267145
1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267133
1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267191
4-(1-benzofuran-5-yl)-4-methyl-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one
CID 58267108
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one
CID 58335450
4-[1-[3-[4-(2-methyl-4-pyridinyl)phenyl]-2-oxopropyl]cyclobutyl]benzonitrile
CID 58267139
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
CID 58335441
N-[5-(3-methylphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 58447730
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(4-piperidin-1-ylphenyl)butan-2-one
CID 58335434

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one?
The IUPAC name of 4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one (CID 58267209) is 4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one.
What is the SMILES notation for 4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one?
The canonical SMILES for 4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one is Cc1cc(-c2ccc(CC(=O)CC(C)c3ccco3)cc2)ccn1.
What is the InChIKey of 4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one?
The InChIKey is FRKVKQJJNVSGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15(21-4-3-11-24-21)12-20(23)14-17-5-7-18(8-6-17)19-9-10-22-16(2)13-19/h3-11,13,15H,12,14H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one?
4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one has a molecular weight of 319.40 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one is sourced from PubChem (CID 58267209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).