N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide

C16H19ClN4O2 — CID 113047959

IUPACN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)C(C)(C)C)nn1
InChIInChI=1S/C16H19ClN4O2/c1-16(2,3)15(22)19-14-8-7-13(20-21-14)18-11-9-10(17)5-6-12(11)23-4/h5-9H,1-4H3,(H,18,20)(H,19,21,22)
InChIKeyMUCCEEBSOWROGW-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.87
Rot. Bonds4

About N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide

N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 113047959) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID113047959
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)C(C)(C)C)nn1
InChIInChI=1S/C16H19ClN4O2/c1-16(2,3)15(22)19-14-8-7-13(20-21-14)18-11-9-10(17)5-6-12(11)23-4/h5-9H,1-4H3,(H,18,20)(H,19,21,22)
InChIKeyMUCCEEBSOWROGW-UHFFFAOYSA-N
XLogP3.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide 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-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113050816
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047956
N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048089
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047986
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
CID 109129093
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]acetamide
CID 113048531
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006
2-chloro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048567
N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113047725

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (CID 113047959) is N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is COc1ccc(Cl)cc1Nc1ccc(NC(=O)C(C)(C)C)nn1.
What is the InChIKey of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is MUCCEEBSOWROGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-16(2,3)15(22)19-14-8-7-13(20-21-14)18-11-9-10(17)5-6-12(11)23-4/h5-9H,1-4H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 334.81 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113047959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).