6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide

C20H17N5O2 — CID 109129535

IUPAC6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3ccccc3C#N)nn2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-27-16-9-7-15(8-10-16)22-20(26)18-11-12-19(25-24-18)23-17-6-4-3-5-14(17)13-21/h3-12H,2H2,1H3,(H,22,26)(H,23,25)
InChIKeyDGDIDABHCACECU-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.74
Rot. Bonds6

About 6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide

6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109129535) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
PubChem CID109129535
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Nc3ccccc3C#N)nn2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-27-16-9-7-15(8-10-16)22-20(26)18-11-12-19(25-24-18)23-17-6-4-3-5-14(17)13-21/h3-12H,2H2,1H3,(H,22,26)(H,23,25)
InChIKeyDGDIDABHCACECU-UHFFFAOYSA-N
XLogP3.74
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109293739
6-N-(2-cyanophenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100983
6-(2-cyanoanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127698
N-(2-cyanophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127922
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
6-(4-ethoxyanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128416
6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109127582
6-(2-ethoxyanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127101
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200785
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109130309
N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128508

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide (CID 109129535) is 6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide is CCOc1ccc(NC(=O)c2ccc(Nc3ccccc3C#N)nn2)cc1.
What is the InChIKey of 6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is DGDIDABHCACECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-27-16-9-7-15(8-10-16)22-20(26)18-11-12-19(25-24-18)23-17-6-4-3-5-14(17)13-21/h3-12H,2H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).