6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide

C19H12N6O — CID 109130370

IUPAC6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3cccc(C#N)c3)nn2)cc1
InChIInChI=1S/C19H12N6O/c20-11-13-4-6-15(7-5-13)23-19(26)17-8-9-18(25-24-17)22-16-3-1-2-14(10-16)12-21/h1-10H,(H,22,25)(H,23,26)
InChIKeyZIDXXYVTQVPJBQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.22
Rot. Bonds4

About 6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide

6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide (PubChem CID 109130370) has the molecular formula C19H12N6O and a molecular weight of 340.35 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
PubChem CID109130370
Molecular FormulaC19H12N6O
Molecular Weight340.35 g/mol
Exact Mass340.11
IUPAC Name6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3cccc(C#N)c3)nn2)cc1
InChIInChI=1S/C19H12N6O/c20-11-13-4-6-15(7-5-13)23-19(26)17-8-9-18(25-24-17)22-16-3-1-2-14(10-16)12-21/h1-10H,(H,22,25)(H,23,26)
InChIKeyZIDXXYVTQVPJBQ-UHFFFAOYSA-N
XLogP3.22
TPSA114.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109128993
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109130131
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109127539
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128394
N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128178

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide (CID 109130370) is 6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide is N#Cc1ccc(NC(=O)c2ccc(Nc3cccc(C#N)c3)nn2)cc1.
What is the InChIKey of 6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide?
The InChIKey is ZIDXXYVTQVPJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6O/c20-11-13-4-6-15(7-5-13)23-19(26)17-8-9-18(25-24-17)22-16-3-1-2-14(10-16)12-21/h1-10H,(H,22,25)(H,23,26).
What are the key properties of 6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide?
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109130370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).