6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide

C14H15FN4O2 — CID 109114048

IUPAC6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2cccc(F)c2)nn1
InChIInChI=1S/C14H15FN4O2/c1-21-8-7-16-14(20)12-5-6-13(19-18-12)17-11-4-2-3-10(15)9-11/h2-6,9H,7-8H2,1H3,(H,16,20)(H,17,19)
InChIKeySIDACCFGGMMGQS-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.74
Rot. Bonds6

About 6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide

6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide (PubChem CID 109114048) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
PubChem CID109114048
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2cccc(F)c2)nn1
InChIInChI=1S/C14H15FN4O2/c1-21-8-7-16-14(20)12-5-6-13(19-18-12)17-11-4-2-3-10(15)9-11/h2-6,9H,7-8H2,1H3,(H,16,20)(H,17,19)
InChIKeySIDACCFGGMMGQS-UHFFFAOYSA-N
XLogP1.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109755
4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205806
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
6-N-(3-fluorophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095785
6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114069
N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109119784
N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109129697
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127276
N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109128102
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide (CID 109114048) is 6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide is COCCNC(=O)c1ccc(Nc2cccc(F)c2)nn1.
What is the InChIKey of 6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The InChIKey is SIDACCFGGMMGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-21-8-7-16-14(20)12-5-6-13(19-18-12)17-11-4-2-3-10(15)9-11/h2-6,9H,7-8H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).