N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide

C16H11ClN6O — CID 121114365

IUPACN-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)Nc2cc(Cl)ccc2C#N)nn1
InChIInChI=1S/C16H11ClN6O/c1-10-19-6-7-23(10)15-5-4-13(21-22-15)16(24)20-14-8-12(17)3-2-11(14)9-18/h2-8H,1H3,(H,20,24)
InChIKeyYDGZBJKQEDZOLL-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.75
Rot. Bonds3

About N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide

N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (PubChem CID 121114365) has the molecular formula C16H11ClN6O and a molecular weight of 338.76 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
PubChem CID121114365
Molecular FormulaC16H11ClN6O
Molecular Weight338.76 g/mol
Exact Mass338.07
IUPAC NameN-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)Nc2cc(Cl)ccc2C#N)nn1
InChIInChI=1S/C16H11ClN6O/c1-10-19-6-7-23(10)15-5-4-13(21-22-15)16(24)20-14-8-12(17)3-2-11(14)9-18/h2-8H,1H3,(H,20,24)
InChIKeyYDGZBJKQEDZOLL-UHFFFAOYSA-N
XLogP2.75
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
6-(2-methylimidazol-1-yl)-N-quinolin-3-ylpyridazine-3-carboxamide
CID 121114385
N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
CID 121114367
4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81226633
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
4-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109221189
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514306
N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 60710472
N-[2-(diethylamino)ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
CID 121114224

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (CID 121114365) is N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is Cc1nccn1-c1ccc(C(=O)Nc2cc(Cl)ccc2C#N)nn1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is YDGZBJKQEDZOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6O/c1-10-19-6-7-23(10)15-5-4-13(21-22-15)16(24)20-14-8-12(17)3-2-11(14)9-18/h2-8H,1H3,(H,20,24).
What are the key properties of N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 338.76 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 121114365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).