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

C25H20FN3O — CID 58447634

IUPACN-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccc(F)cc4)cn3)cc2)ccn1
InChIInChI=1S/C25H20FN3O/c1-17-14-21(12-13-27-17)19-4-2-18(3-5-19)15-25(30)29-24-11-8-22(16-28-24)20-6-9-23(26)10-7-20/h2-14,16H,15H2,1H3,(H,28,29,30)
InChIKeyFRBPHARYYSYBBH-UHFFFAOYSA-N
MW397.45 g/mol
LogP5.44
Rot. Bonds5

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

N-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 58447634) has the molecular formula C25H20FN3O and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID58447634
Molecular FormulaC25H20FN3O
Molecular Weight397.45 g/mol
Exact Mass397.16
IUPAC NameN-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccc(F)cc4)cn3)cc2)ccn1
InChIInChI=1S/C25H20FN3O/c1-17-14-21(12-13-27-17)19-4-2-18(3-5-19)15-25(30)29-24-11-8-22(16-28-24)20-6-9-23(26)10-7-20/h2-14,16H,15H2,1H3,(H,28,29,30)
InChIKeyFRBPHARYYSYBBH-UHFFFAOYSA-N
XLogP5.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 58447634) is N-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccc(F)cc4)cn3)cc2)ccn1.
What is the InChIKey of N-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is FRBPHARYYSYBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O/c1-17-14-21(12-13-27-17)19-4-2-18(3-5-19)15-25(30)29-24-11-8-22(16-28-24)20-6-9-23(26)10-7-20/h2-14,16H,15H2,1H3,(H,28,29,30).
What are the key properties of N-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 397.45 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 58447634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).