N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide

C20H17N5O2 — CID 109129563

IUPACN-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccc(C(=O)Nc2ccccc2C#N)nn1
InChIInChI=1S/C20H17N5O2/c1-13-7-9-18(27-2)17(11-13)22-19-10-8-16(24-25-19)20(26)23-15-6-4-3-5-14(15)12-21/h3-11H,1-2H3,(H,22,25)(H,23,26)
InChIKeyDQBFCANRDHPEHU-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.66
Rot. Bonds5

About N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide

N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide (PubChem CID 109129563) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
PubChem CID109129563
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccc(C(=O)Nc2ccccc2C#N)nn1
InChIInChI=1S/C20H17N5O2/c1-13-7-9-18(27-2)17(11-13)22-19-10-8-16(24-25-19)20(26)23-15-6-4-3-5-14(15)12-21/h3-11H,1-2H3,(H,22,25)(H,23,26)
InChIKeyDQBFCANRDHPEHU-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

6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
6-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127570
6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129591
N-(2-cyanophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245547
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872
N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127858
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
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-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127698
6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129575

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide (CID 109129563) is N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide is COc1ccc(C)cc1Nc1ccc(C(=O)Nc2ccccc2C#N)nn1.
What is the InChIKey of N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide?
The InChIKey is DQBFCANRDHPEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-7-9-18(27-2)17(11-13)22-19-10-8-16(24-25-19)20(26)23-15-6-4-3-5-14(15)12-21/h3-11H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide?
N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)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 N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).