N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide

C20H21N5O2 — CID 113049591

IUPACN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(N(C)C)cc3)nn2)cc1
InChIInChI=1S/C20H21N5O2/c1-25(2)16-8-6-15(7-9-16)21-18-12-13-19(24-23-18)22-20(26)14-4-10-17(27-3)11-5-14/h4-13H,1-3H3,(H,21,23)(H,22,24,26)
InChIKeyFDUQSCGSLKECAU-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.55
Rot. Bonds6

About N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide

N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide (PubChem CID 113049591) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
PubChem CID113049591
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(N(C)C)cc3)nn2)cc1
InChIInChI=1S/C20H21N5O2/c1-25(2)16-8-6-15(7-9-16)21-18-12-13-19(24-23-18)22-20(26)14-4-10-17(27-3)11-5-14/h4-13H,1-3H3,(H,21,23)(H,22,24,26)
InChIKeyFDUQSCGSLKECAU-UHFFFAOYSA-N
XLogP3.55
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
CID 113049582
6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129399
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113047832
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
CID 113048288
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
4-methoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051725
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164382

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide (CID 113049591) is N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccc(N(C)C)cc3)nn2)cc1.
What is the InChIKey of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide?
The InChIKey is FDUQSCGSLKECAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25(2)16-8-6-15(7-9-16)21-18-12-13-19(24-23-18)22-20(26)14-4-10-17(27-3)11-5-14/h4-13H,1-3H3,(H,21,23)(H,22,24,26).
What are the key properties of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide?
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide has a molecular weight of 363.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 113049591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).