N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

C25H21FN4O — CID 46927051

IUPACN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cc2C)ccn1
InChIInChI=1S/C25H21FN4O/c1-16-10-18(14-29-25(16)20-8-9-27-17(2)11-20)12-24(31)30-22-6-7-23(28-15-22)19-4-3-5-21(26)13-19/h3-11,13-15H,12H2,1-2H3,(H,30,31)
InChIKeyZQCUFFCOYYGRKD-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.14
Rot. Bonds5

About N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 46927051) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID46927051
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cc2C)ccn1
InChIInChI=1S/C25H21FN4O/c1-16-10-18(14-29-25(16)20-8-9-27-17(2)11-20)12-24(31)30-22-6-7-23(28-15-22)19-4-3-5-21(26)13-19/h3-11,13-15H,12H2,1-2H3,(H,30,31)
InChIKeyZQCUFFCOYYGRKD-UHFFFAOYSA-N
XLogP5.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.14
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-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 46927051) is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cc2C)ccn1.
What is the InChIKey of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is ZQCUFFCOYYGRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c1-16-10-18(14-29-25(16)20-8-9-27-17(2)11-20)12-24(31)30-22-6-7-23(28-15-22)19-4-3-5-21(26)13-19/h3-11,13-15H,12H2,1-2H3,(H,30,31).
What are the key properties of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 412.47 g/mol, XLogP of 5.14, 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-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 46927051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).