N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide

C21H21FN4O — CID 109125125

IUPACN-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C21H21FN4O/c1-15(2)26(14-16-6-4-3-5-7-16)21(27)19-12-13-20(25-24-19)23-18-10-8-17(22)9-11-18/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyGJSQLSAMVGFJFM-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.41
Rot. Bonds6

About N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide

N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109125125) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109125125
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C21H21FN4O/c1-15(2)26(14-16-6-4-3-5-7-16)21(27)19-12-13-20(25-24-19)23-18-10-8-17(22)9-11-18/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyGJSQLSAMVGFJFM-UHFFFAOYSA-N
XLogP4.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide 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

6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109125118
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125140
N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109124715
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
CID 109287695
N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348287
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161142
N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217237
N-benzyl-5-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195349
6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109099326

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide (CID 109125125) is N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)cc2)nn1.
What is the InChIKey of N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is GJSQLSAMVGFJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15(2)26(14-16-6-4-3-5-7-16)21(27)19-12-13-20(25-24-19)23-18-10-8-17(22)9-11-18/h3-13,15H,14H2,1-2H3,(H,23,25).
What are the key properties of N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide?
N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109125125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).