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

C20H15N5O2 — CID 109129841

IUPAC6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)nn2)cc1
InChIInChI=1S/C20H15N5O2/c1-13(26)15-5-7-16(8-6-15)22-19-10-9-18(24-25-19)20(27)23-17-4-2-3-14(11-17)12-21/h2-11H,1H3,(H,22,25)(H,23,27)
InChIKeyTVOQPEHSNBYNTO-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.55
Rot. Bonds5

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

6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide (PubChem CID 109129841) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
PubChem CID109129841
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)nn2)cc1
InChIInChI=1S/C20H15N5O2/c1-13(26)15-5-7-16(8-6-15)22-19-10-9-18(24-25-19)20(27)23-17-4-2-3-14(11-17)12-21/h2-11H,1H3,(H,22,25)(H,23,27)
InChIKeyTVOQPEHSNBYNTO-UHFFFAOYSA-N
XLogP3.55
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109128993
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
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-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide (CID 109129841) is 6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide is CC(=O)c1ccc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)nn2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
The InChIKey is TVOQPEHSNBYNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-13(26)15-5-7-16(8-6-15)22-19-10-9-18(24-25-19)20(27)23-17-4-2-3-14(11-17)12-21/h2-11H,1H3,(H,22,25)(H,23,27).
What are the key properties of 6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).