4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide

C13H14N4O — CID 106894633

IUPAC4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
SMILESNCc1ccc(C(=O)NCc2cccnn2)cc1
InChIInChI=1S/C13H14N4O/c14-8-10-3-5-11(6-4-10)13(18)15-9-12-2-1-7-16-17-12/h1-7H,8-9,14H2,(H,15,18)
InChIKeyJQMHDORJBAFIFU-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.87
Rot. Bonds4

About 4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide

4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide (PubChem CID 106894633) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
PubChem CID106894633
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
SMILESNCc1ccc(C(=O)NCc2cccnn2)cc1
InChIInChI=1S/C13H14N4O/c14-8-10-3-5-11(6-4-10)13(18)15-9-12-2-1-7-16-17-12/h1-7H,8-9,14H2,(H,15,18)
InChIKeyJQMHDORJBAFIFU-UHFFFAOYSA-N
XLogP0.87
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106832257
5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106832300
3-cyano-N-(pyridazin-3-ylmethyl)benzamide
CID 106832275
6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
CID 106832306
5-(3-aminoprop-1-ynyl)-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106897508
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897774
6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106832234
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106896145

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide (CID 106894633) is 4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide is NCc1ccc(C(=O)NCc2cccnn2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide?
The InChIKey is JQMHDORJBAFIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-8-10-3-5-11(6-4-10)13(18)15-9-12-2-1-7-16-17-12/h1-7H,8-9,14H2,(H,15,18).
What are the key properties of 4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide?
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide has a molecular weight of 242.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 106894633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).