1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide

C17H13FN4O2 — CID 27376537

IUPAC1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN4O2/c18-13-5-3-12(4-6-13)11-22-16(23)8-7-15(21-22)17(24)20-14-2-1-9-19-10-14/h1-10H,11H2,(H,20,24)
InChIKeyJVNOWEPGVXHCBQ-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.08
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide

1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide (PubChem CID 27376537) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide
PubChem CID27376537
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN4O2/c18-13-5-3-12(4-6-13)11-22-16(23)8-7-15(21-22)17(24)20-14-2-1-9-19-10-14/h1-10H,11H2,(H,20,24)
InChIKeyJVNOWEPGVXHCBQ-UHFFFAOYSA-N
XLogP2.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide (CID 27376537) is 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide is O=C(Nc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide?
The InChIKey is JVNOWEPGVXHCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-13-5-3-12(4-6-13)11-22-16(23)8-7-15(21-22)17(24)20-14-2-1-9-19-10-14/h1-10H,11H2,(H,20,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide has a molecular weight of 324.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-3-ylpyridazine-3-carboxamide is sourced from PubChem (CID 27376537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).