3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide

C13H13FN4O — CID 106894540

IUPAC3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
SMILESCc1c(N)cc(C(=O)NCc2cccnn2)cc1F
InChIInChI=1S/C13H13FN4O/c1-8-11(14)5-9(6-12(8)15)13(19)16-7-10-3-2-4-17-18-10/h2-6H,7,15H2,1H3,(H,16,19)
InChIKeyREJOZIDMKPJATL-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.44
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide

3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide (PubChem CID 106894540) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
PubChem CID106894540
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
SMILESCc1c(N)cc(C(=O)NCc2cccnn2)cc1F
InChIInChI=1S/C13H13FN4O/c1-8-11(14)5-9(6-12(8)15)13(19)16-7-10-3-2-4-17-18-10/h2-6H,7,15H2,1H3,(H,16,19)
InChIKeyREJOZIDMKPJATL-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
3-amino-5-methylsulfonyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894620
5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106832300
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
2-ethyl-6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 106897765
2-(ethylamino)-6-methyl-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 106897686
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide (CID 106894540) is 3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide is Cc1c(N)cc(C(=O)NCc2cccnn2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide?
The InChIKey is REJOZIDMKPJATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8-11(14)5-9(6-12(8)15)13(19)16-7-10-3-2-4-17-18-10/h2-6H,7,15H2,1H3,(H,16,19).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide?
3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide has a molecular weight of 260.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 106894540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).