6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide

C20H17N5O2 — CID 109129591

IUPAC6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C20H17N5O2/c1-13-3-9-18(27-2)17(11-13)23-20(26)16-8-10-19(25-24-16)22-15-6-4-14(12-21)5-7-15/h3-11H,1-2H3,(H,22,25)(H,23,26)
InChIKeyNPGBBQMLSPHYKL-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.66
Rot. Bonds5

About 6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide

6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109129591) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
PubChem CID109129591
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C20H17N5O2/c1-13-3-9-18(27-2)17(11-13)23-20(26)16-8-10-19(25-24-16)22-15-6-4-14(12-21)5-7-15/h3-11H,1-2H3,(H,22,25)(H,23,26)
InChIKeyNPGBBQMLSPHYKL-UHFFFAOYSA-N
XLogP3.66
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109129563
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
2-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337704
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129575
6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109113835
N-(2-tert-butylphenyl)-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109128319
6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848989
N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118309
N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120227
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide (CID 109129591) is 6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc(Nc2ccc(C#N)cc2)nn1.
What is the InChIKey of 6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is NPGBBQMLSPHYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-3-9-18(27-2)17(11-13)23-20(26)16-8-10-19(25-24-16)22-15-6-4-14(12-21)5-7-15/h3-11H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).