6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

C11H9ClN4O — CID 54927031

IUPAC6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Cl)nn1
InChIInChI=1S/C11H9ClN4O/c12-10-4-3-9(15-16-10)11(17)14-7-8-2-1-5-13-6-8/h1-6H,7H2,(H,14,17)
InChIKeyHOVQVTYFGHLHFD-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.46
Rot. Bonds3

About 6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (PubChem CID 54927031) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
PubChem CID54927031
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Cl)nn1
InChIInChI=1S/C11H9ClN4O/c12-10-4-3-9(15-16-10)11(17)14-7-8-2-1-5-13-6-8/h1-6H,7H2,(H,14,17)
InChIKeyHOVQVTYFGHLHFD-UHFFFAOYSA-N
XLogP1.46
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121155
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 60858368
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293
6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121140
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109120160

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (CID 54927031) is 6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1cccnc1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is HOVQVTYFGHLHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-10-4-3-9(15-16-10)11(17)14-7-8-2-1-5-13-6-8/h1-6H,7H2,(H,14,17).
What are the key properties of 6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 248.67 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 54927031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).