N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

C12H9FN4O2 — CID 947874

IUPACN-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NN=Cc1cccc(F)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9FN4O2/c13-9-3-1-2-8(6-9)7-14-17-12(19)10-4-5-11(18)16-15-10/h1-7H,(H,16,18)(H,17,19)
InChIKeyWZQKGBZWGCGKNY-UHFFFAOYSA-N
MW260.23 g/mol
LogP0.67
Rot. Bonds3

About N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 947874) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID947874
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NN=Cc1cccc(F)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H9FN4O2/c13-9-3-1-2-8(6-9)7-14-17-12(19)10-4-5-11(18)16-15-10/h1-7H,(H,16,18)(H,17,19)
InChIKeyWZQKGBZWGCGKNY-UHFFFAOYSA-N
XLogP0.67
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5105214
N-[(E)-(3-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890964
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135521451
6-oxo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide
CID 869840
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135633946
N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6873008
3-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2046118
4-bromo-N-[(3-fluorophenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 1225347
N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 841340
2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107914
3-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 761754
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (CID 947874) is N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NN=Cc1cccc(F)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is WZQKGBZWGCGKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c13-9-3-1-2-8(6-9)7-14-17-12(19)10-4-5-11(18)16-15-10/h1-7H,(H,16,18)(H,17,19).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 260.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 947874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).