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

C23H18FN5O — CID 46926893

IUPACN-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnnc1
InChIInChI=1S/C23H18FN5O/c1-15-9-16(12-26-23(15)19-7-8-27-28-14-19)10-22(30)29-21-6-5-18(13-25-21)17-3-2-4-20(24)11-17/h2-9,11-14H,10H2,1H3,(H,25,29,30)
InChIKeyWJQHZMSYJPODOP-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.23
Rot. Bonds5

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

N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide (PubChem CID 46926893) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide
PubChem CID46926893
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC NameN-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnnc1
InChIInChI=1S/C23H18FN5O/c1-15-9-16(12-26-23(15)19-7-8-27-28-14-19)10-22(30)29-21-6-5-18(13-25-21)17-3-2-4-20(24)11-17/h2-9,11-14H,10H2,1H3,(H,25,29,30)
InChIKeyWJQHZMSYJPODOP-UHFFFAOYSA-N
XLogP4.23
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide?
The IUPAC name of N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide (CID 46926893) is N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide is Cc1cc(CC(=O)Nc2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnnc1.
What is the InChIKey of N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide?
The InChIKey is WJQHZMSYJPODOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c1-15-9-16(12-26-23(15)19-7-8-27-28-14-19)10-22(30)29-21-6-5-18(13-25-21)17-3-2-4-20(24)11-17/h2-9,11-14H,10H2,1H3,(H,25,29,30).
What are the key properties of N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide?
N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide has a molecular weight of 399.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-2-pyridinyl]-2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 46926893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).