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

C20H17N5O — CID 109127858

IUPACN-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)Nc3ccccc3C#N)nn2)c1C
InChIInChI=1S/C20H17N5O/c1-13-6-5-9-16(14(13)2)22-19-11-10-18(24-25-19)20(26)23-17-8-4-3-7-15(17)12-21/h3-11H,1-2H3,(H,22,25)(H,23,26)
InChIKeyDEFBUFDJTIFSQO-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.96
Rot. Bonds4

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

N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide (PubChem CID 109127858) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
PubChem CID109127858
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)Nc3ccccc3C#N)nn2)c1C
InChIInChI=1S/C20H17N5O/c1-13-6-5-9-16(14(13)2)22-19-11-10-18(24-25-19)20(26)23-17-8-4-3-7-15(17)12-21/h3-11H,1-2H3,(H,22,25)(H,23,26)
InChIKeyDEFBUFDJTIFSQO-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

N-(2-cyanophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127922
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 109130126
6-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127570
N-(2-cyanophenyl)-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109130305
6-(2-cyanoanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127698
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-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109129563
N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130365
N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128508
N-(2-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118339
N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127862

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide (CID 109127858) is N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide is Cc1cccc(Nc2ccc(C(=O)Nc3ccccc3C#N)nn2)c1C.
What is the InChIKey of N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide?
The InChIKey is DEFBUFDJTIFSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-6-5-9-16(14(13)2)22-19-11-10-18(24-25-19)20(26)23-17-8-4-3-7-15(17)12-21/h3-11H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide?
N-(2-cyanophenyl)-6-(2,3-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-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109127858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).