N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

C24H19FN4O — CID 46926971

IUPACN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cn2)ccn1
InChIInChI=1S/C24H19FN4O/c1-16-11-19(9-10-26-16)22-7-5-17(14-27-22)12-24(30)29-21-6-8-23(28-15-21)18-3-2-4-20(25)13-18/h2-11,13-15H,12H2,1H3,(H,29,30)
InChIKeyZQRZZEMDEQTZRC-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.83
Rot. Bonds5

About N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 46926971) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID46926971
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cn2)ccn1
InChIInChI=1S/C24H19FN4O/c1-16-11-19(9-10-26-16)22-7-5-17(14-27-22)12-24(30)29-21-6-8-23(28-15-21)18-3-2-4-20(25)13-18/h2-11,13-15H,12H2,1H3,(H,29,30)
InChIKeyZQRZZEMDEQTZRC-UHFFFAOYSA-N
XLogP4.83
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 46926971) is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cn2)ccn1.
What is the InChIKey of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is ZQRZZEMDEQTZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-16-11-19(9-10-26-16)22-7-5-17(14-27-22)12-24(30)29-21-6-8-23(28-15-21)18-3-2-4-20(25)13-18/h2-11,13-15H,12H2,1H3,(H,29,30).
What are the key properties of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 398.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 46926971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).