1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone

C24H24FNO2 — CID 139459019

IUPAC1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(F)cc(OCC(C)C)c2)nc1-c1ccc(C)cc1
InChIInChI=1S/C24H24FNO2/c1-15(2)14-28-21-12-19(11-20(25)13-21)23-10-9-22(17(4)27)24(26-23)18-7-5-16(3)6-8-18/h5-13,15H,14H2,1-4H3
InChIKeyCJRRDVADZIWXNF-UHFFFAOYSA-N
MW377.46 g/mol
LogP6.10
Rot. Bonds6

About 1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone

1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone (PubChem CID 139459019) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone
PubChem CID139459019
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(F)cc(OCC(C)C)c2)nc1-c1ccc(C)cc1
InChIInChI=1S/C24H24FNO2/c1-15(2)14-28-21-12-19(11-20(25)13-21)23-10-9-22(17(4)27)24(26-23)18-7-5-16(3)6-8-18/h5-13,15H,14H2,1-4H3
InChIKeyCJRRDVADZIWXNF-UHFFFAOYSA-N
XLogP6.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethane
CID 153336072
ethyl 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylate
CID 121252651
N-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)pyridine-3-carboxamide
CID 131990073
2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylate;molecular hydrogen
CID 157450566
4-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid
CID 121251625
2-[(2,4-dimethyl-3-pyridinyl)oxy]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 175768406
6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4,4-tetramethylcyclopentyl)pyridine-3-carboxylic acid
CID 121251396
2-(dimethylamino)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
CID 158814016
6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(1-methylcyclopropyl)methoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide
CID 131990029
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251666
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylcyclopentyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 139459092

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone (CID 139459019) is 1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2cc(F)cc(OCC(C)C)c2)nc1-c1ccc(C)cc1.
What is the InChIKey of 1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone?
The InChIKey is CJRRDVADZIWXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-15(2)14-28-21-12-19(11-20(25)13-21)23-10-9-22(17(4)27)24(26-23)18-7-5-16(3)6-8-18/h5-13,15H,14H2,1-4H3.
What are the key properties of 1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone?
1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone has a molecular weight of 377.46 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 139459019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).