3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide

C11H11N5O — CID 106896014

IUPAC3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NCc1cccnn1
InChIInChI=1S/C11H11N5O/c12-9-4-2-5-13-10(9)11(17)14-7-8-3-1-6-15-16-8/h1-6H,7,12H2,(H,14,17)
InChIKeyMUBBFQQNPIOSNQ-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.38
Rot. Bonds3

About 3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide

3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 106896014) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID106896014
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NCc1cccnn1
InChIInChI=1S/C11H11N5O/c12-9-4-2-5-13-10(9)11(17)14-7-8-3-1-6-15-16-8/h1-6H,7,12H2,(H,14,17)
InChIKeyMUBBFQQNPIOSNQ-UHFFFAOYSA-N
XLogP0.38
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503
3-amino-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 104742298
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 113447693
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridazine-3-carboxamide
CID 106897771
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897774
2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894585
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 114194058

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide (CID 106896014) is 3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide is Nc1cccnc1C(=O)NCc1cccnn1.
What is the InChIKey of 3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is MUBBFQQNPIOSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-9-4-2-5-13-10(9)11(17)14-7-8-3-1-6-15-16-8/h1-6H,7,12H2,(H,14,17).
What are the key properties of 3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106896014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).