1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

C18H15FN4O2 — CID 42161911

IUPAC1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C18H15FN4O2/c19-14-5-3-4-13(10-14)12-23-17(24)8-7-16(22-23)18(25)21-11-15-6-1-2-9-20-15/h1-10H,11-12H2,(H,21,25)
InChIKeyPLZCNBQMQMFMDC-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.76
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 42161911) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID42161911
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C18H15FN4O2/c19-14-5-3-4-13(10-14)12-23-17(24)8-7-16(22-23)18(25)21-11-15-6-1-2-9-20-15/h1-10H,11-12H2,(H,21,25)
InChIKeyPLZCNBQMQMFMDC-UHFFFAOYSA-N
XLogP1.76
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (CID 42161911) is 1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1ccccn1)c1ccc(=O)n(Cc2cccc(F)c2)n1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is PLZCNBQMQMFMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-14-5-3-4-13(10-14)12-23-17(24)8-7-16(22-23)18(25)21-11-15-6-1-2-9-20-15/h1-10H,11-12H2,(H,21,25).
What are the key properties of 1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 42161911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).