2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid

C23H24N2O2 — CID 44571242

IUPAC2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid
SMILESCc1ccc(CCCc2ccc(Nc3ncccc3C(=O)O)cc2)cc1C
InChIInChI=1S/C23H24N2O2/c1-16-8-9-19(15-17(16)2)6-3-5-18-10-12-20(13-11-18)25-22-21(23(26)27)7-4-14-24-22/h4,7-15H,3,5-6H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyBGRHOAWKLXWNLM-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.32
Rot. Bonds7

About 2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid

2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid (PubChem CID 44571242) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid
PubChem CID44571242
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid
SMILESCc1ccc(CCCc2ccc(Nc3ncccc3C(=O)O)cc2)cc1C
InChIInChI=1S/C23H24N2O2/c1-16-8-9-19(15-17(16)2)6-3-5-18-10-12-20(13-11-18)25-22-21(23(26)27)7-4-14-24-22/h4,7-15H,3,5-6H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyBGRHOAWKLXWNLM-UHFFFAOYSA-N
XLogP5.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid (CID 44571242) is 2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid is Cc1ccc(CCCc2ccc(Nc3ncccc3C(=O)O)cc2)cc1C.
What is the InChIKey of 2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid?
The InChIKey is BGRHOAWKLXWNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16-8-9-19(15-17(16)2)6-3-5-18-10-12-20(13-11-18)25-22-21(23(26)27)7-4-14-24-22/h4,7-15H,3,5-6H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid?
2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid has a molecular weight of 360.46 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,4-dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 44571242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).