N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide

C20H17N5O — CID 109127539

IUPACN-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)nn2)c(C)c1
InChIInChI=1S/C20H17N5O/c1-13-6-7-17(14(2)10-13)23-19-9-8-18(24-25-19)20(26)22-16-5-3-4-15(11-16)12-21/h3-11H,1-2H3,(H,22,26)(H,23,25)
InChIKeyJRFWNYILKYFOML-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.96
Rot. Bonds4

About N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide

N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide (PubChem CID 109127539) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
PubChem CID109127539
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)nn2)c(C)c1
InChIInChI=1S/C20H17N5O/c1-13-6-7-17(14(2)10-13)23-19-9-8-18(24-25-19)20(26)22-16-5-3-4-15(11-16)12-21/h3-11H,1-2H3,(H,22,26)(H,23,25)
InChIKeyJRFWNYILKYFOML-UHFFFAOYSA-N
XLogP3.96
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109128993
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128178
N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314747
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
6-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127570
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850277
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide (CID 109127539) is N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)nn2)c(C)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide?
The InChIKey is JRFWNYILKYFOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-6-7-17(14(2)10-13)23-19-9-8-18(24-25-19)20(26)22-16-5-3-4-15(11-16)12-21/h3-11H,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide?
N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109127539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).