N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide

C23H17FN4O — CID 46926658

IUPACN-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccnnc2)cc1)Nc1ccc(-c2cccc(F)c2)cn1
InChIInChI=1S/C23H17FN4O/c24-21-3-1-2-18(13-21)19-8-9-22(25-14-19)28-23(29)12-16-4-6-17(7-5-16)20-10-11-26-27-15-20/h1-11,13-15H,12H2,(H,25,28,29)
InChIKeyQYGLGXKBCNVDTB-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.53
Rot. Bonds5

About N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide

N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide (PubChem CID 46926658) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide
PubChem CID46926658
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC NameN-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccnnc2)cc1)Nc1ccc(-c2cccc(F)c2)cn1
InChIInChI=1S/C23H17FN4O/c24-21-3-1-2-18(13-21)19-8-9-22(25-14-19)28-23(29)12-16-4-6-17(7-5-16)20-10-11-26-27-15-20/h1-11,13-15H,12H2,(H,25,28,29)
InChIKeyQYGLGXKBCNVDTB-UHFFFAOYSA-N
XLogP4.53
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide?
The IUPAC name of N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide (CID 46926658) is N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide is O=C(Cc1ccc(-c2ccnnc2)cc1)Nc1ccc(-c2cccc(F)c2)cn1.
What is the InChIKey of N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide?
The InChIKey is QYGLGXKBCNVDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-21-3-1-2-18(13-21)19-8-9-22(25-14-19)28-23(29)12-16-4-6-17(7-5-16)20-10-11-26-27-15-20/h1-11,13-15H,12H2,(H,25,28,29).
What are the key properties of N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide?
N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide has a molecular weight of 384.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide is sourced from PubChem (CID 46926658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).