2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide

C13H14N4O — CID 106894585

IUPAC2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2cccnn2)c1N
InChIInChI=1S/C13H14N4O/c1-9-4-2-6-11(12(9)14)13(18)15-8-10-5-3-7-16-17-10/h2-7H,8,14H2,1H3,(H,15,18)
InChIKeyDOGIUMZKRVOYHJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide

2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide (PubChem CID 106894585) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
PubChem CID106894585
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2cccnn2)c1N
InChIInChI=1S/C13H14N4O/c1-9-4-2-6-11(12(9)14)13(18)15-8-10-5-3-7-16-17-10/h2-7H,8,14H2,1H3,(H,15,18)
InChIKeyDOGIUMZKRVOYHJ-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.30
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

2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62321573
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
2-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzamide
CID 106896095
4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897669
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 114194058
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897715
2-amino-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114386754
2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106391343
ethyl 2-amino-3-(pyridazin-3-ylmethylamino)benzoate
CID 106897550

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide (CID 106894585) is 2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide is Cc1cccc(C(=O)NCc2cccnn2)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide?
The InChIKey is DOGIUMZKRVOYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-4-2-6-11(12(9)14)13(18)15-8-10-5-3-7-16-17-10/h2-7H,8,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide?
2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 106894585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).