N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide

C21H23N5O3 — CID 109129724

IUPACN-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(N(C)C)cc3)nn2)cc1OC
InChIInChI=1S/C21H23N5O3/c1-26(2)16-8-5-14(6-9-16)22-20-12-10-17(24-25-20)21(27)23-15-7-11-18(28-3)19(13-15)29-4/h5-13H,1-4H3,(H,22,25)(H,23,27)
InChIKeyDJVLQUOALHOCEH-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.56
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide

N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide (PubChem CID 109129724) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
PubChem CID109129724
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(N(C)C)cc3)nn2)cc1OC
InChIInChI=1S/C21H23N5O3/c1-26(2)16-8-5-14(6-9-16)22-20-12-10-17(24-25-20)21(27)23-15-7-11-18(28-3)19(13-15)29-4/h5-13H,1-4H3,(H,22,25)(H,23,27)
InChIKeyDJVLQUOALHOCEH-UHFFFAOYSA-N
XLogP3.56
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129399
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382
6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109129868
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978
6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124776
6-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129733
6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115449
N-(3,4-dimethoxyphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111097
N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109128635
N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109129713

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide (CID 109129724) is N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccc(N(C)C)cc3)nn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The InChIKey is DJVLQUOALHOCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-26(2)16-8-5-14(6-9-16)22-20-12-10-17(24-25-20)21(27)23-15-7-11-18(28-3)19(13-15)29-4/h5-13H,1-4H3,(H,22,25)(H,23,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109129724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).