1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide

C15H14FN3O2 — CID 9076740

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C15H14FN3O2/c1-3-8-17-15(21)14-13(20)9-10(2)19(18-14)12-7-5-4-6-11(12)16/h3-7,9H,1,8H2,2H3,(H,17,21)
InChIKeyXBYUNAXQKLPOOR-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.60
Rot. Bonds4

About 1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide (PubChem CID 9076740) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
PubChem CID9076740
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C15H14FN3O2/c1-3-8-17-15(21)14-13(20)9-10(2)19(18-14)12-7-5-4-6-11(12)16/h3-7,9H,1,8H2,2H3,(H,17,21)
InChIKeyXBYUNAXQKLPOOR-UHFFFAOYSA-N
XLogP1.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide (CID 9076740) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide is C=CCNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide?
The InChIKey is XBYUNAXQKLPOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-3-8-17-15(21)14-13(20)9-10(2)19(18-14)12-7-5-4-6-11(12)16/h3-7,9H,1,8H2,2H3,(H,17,21).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide is sourced from PubChem (CID 9076740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).