6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide

C18H11Cl2N5O — CID 109130309

IUPAC6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C18H11Cl2N5O/c19-12-5-3-6-13(20)17(12)23-18(26)15-8-9-16(25-24-15)22-14-7-2-1-4-11(14)10-21/h1-9H,(H,22,25)(H,23,26)
InChIKeyBQHZIDCSQTYLGA-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.65
Rot. Bonds4

About 6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide

6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide (PubChem CID 109130309) has the molecular formula C18H11Cl2N5O and a molecular weight of 384.23 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
PubChem CID109130309
Molecular FormulaC18H11Cl2N5O
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C18H11Cl2N5O/c19-12-5-3-6-13(20)17(12)23-18(26)15-8-9-16(25-24-15)22-14-7-2-1-4-11(14)10-21/h1-9H,(H,22,25)(H,23,26)
InChIKeyBQHZIDCSQTYLGA-UHFFFAOYSA-N
XLogP4.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109130305
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109164948
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 109130126
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317
N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127858
N-(2-cyanophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127922
6-(2-cyanoanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127698
6-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127570
N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130365
N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128508
6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129535
N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109129563

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide (CID 109130309) is 6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide is N#Cc1ccccc1Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)nn1.
What is the InChIKey of 6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide?
The InChIKey is BQHZIDCSQTYLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O/c19-12-5-3-6-13(20)17(12)23-18(26)15-8-9-16(25-24-15)22-14-7-2-1-4-11(14)10-21/h1-9H,(H,22,25)(H,23,26).
What are the key properties of 6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide?
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide has a molecular weight of 384.23 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109130309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).