1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C15H16FN3O3 — CID 42161901

IUPAC1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C15H16FN3O3/c1-22-8-7-17-15(21)13-5-6-14(20)19(18-13)10-11-3-2-4-12(16)9-11/h2-6,9H,7-8,10H2,1H3,(H,17,21)
InChIKeyGLACGUZJCATRGO-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.81
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 42161901) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID42161901
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C15H16FN3O3/c1-22-8-7-17-15(21)13-5-6-14(20)19(18-13)10-11-3-2-4-12(16)9-11/h2-6,9H,7-8,10H2,1H3,(H,17,21)
InChIKeyGLACGUZJCATRGO-UHFFFAOYSA-N
XLogP0.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 42161901) is 1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCNC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is GLACGUZJCATRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-22-8-7-17-15(21)13-5-6-14(20)19(18-13)10-11-3-2-4-12(16)9-11/h2-6,9H,7-8,10H2,1H3,(H,17,21).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).