N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide

C22H21N5O — CID 109128317

IUPACN-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(Nc2ccccc2C#N)nn1
InChIInChI=1S/C22H21N5O/c1-22(2,3)16-9-5-7-11-18(16)25-21(28)19-12-13-20(27-26-19)24-17-10-6-4-8-15(17)14-23/h4-13H,1-3H3,(H,24,27)(H,25,28)
InChIKeyIVBBGUJBLZXJIZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.64
Rot. Bonds4

About N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide

N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide (PubChem CID 109128317) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
PubChem CID109128317
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(Nc2ccccc2C#N)nn1
InChIInChI=1S/C22H21N5O/c1-22(2,3)16-9-5-7-11-18(16)25-21(28)19-12-13-20(27-26-19)24-17-10-6-4-8-15(17)14-23/h4-13H,1-3H3,(H,24,27)(H,25,28)
InChIKeyIVBBGUJBLZXJIZ-UHFFFAOYSA-N
XLogP4.64
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109128319
6-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127570
N-(2-cyanophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127922
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 109130126
N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127858
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109130309
6-(2-cyanoanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127698
N-(2-cyanophenyl)-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109130305
N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130365
N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147
N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128508
6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129535

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide (CID 109128317) is N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1ccc(Nc2ccccc2C#N)nn1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide?
The InChIKey is IVBBGUJBLZXJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-22(2,3)16-9-5-7-11-18(16)25-21(28)19-12-13-20(27-26-19)24-17-10-6-4-8-15(17)14-23/h4-13H,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide?
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).