6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide

C13H13FN4O — CID 55041899

IUPAC6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(N)nn1)c1ccc(F)cc1
InChIInChI=1S/C13H13FN4O/c1-8(9-2-4-10(14)5-3-9)16-13(19)11-6-7-12(15)18-17-11/h2-8H,1H3,(H2,15,18)(H,16,19)
InChIKeyUKNXJUOYAIJEPQ-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.69
Rot. Bonds3

About 6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide

6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 55041899) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID55041899
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(N)nn1)c1ccc(F)cc1
InChIInChI=1S/C13H13FN4O/c1-8(9-2-4-10(14)5-3-9)16-13(19)11-6-7-12(15)18-17-11/h2-8H,1H3,(H2,15,18)(H,16,19)
InChIKeyUKNXJUOYAIJEPQ-UHFFFAOYSA-N
XLogP1.69
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 62159582
6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
CID 62844280
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55116256
6-amino-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 62155228
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
2-(1-aminoethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81349122
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 94338730
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95051261
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62247886
6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61040801

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide (CID 55041899) is 6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide is CC(NC(=O)c1ccc(N)nn1)c1ccc(F)cc1.
What is the InChIKey of 6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is UKNXJUOYAIJEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8(9-2-4-10(14)5-3-9)16-13(19)11-6-7-12(15)18-17-11/h2-8H,1H3,(H2,15,18)(H,16,19).
What are the key properties of 6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55041899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).