N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide

C19H17FN4O — CID 109119112

IUPACN-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C19H17FN4O/c1-24(13-14-5-3-2-4-6-14)19(25)17-11-12-18(23-22-17)21-16-9-7-15(20)8-10-16/h2-12H,13H2,1H3,(H,21,23)
InChIKeyOILNEXXGEGMXTK-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.63
Rot. Bonds5

About N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide

N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide (PubChem CID 109119112) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
PubChem CID109119112
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C19H17FN4O/c1-24(13-14-5-3-2-4-6-14)19(25)17-11-12-18(23-22-17)21-16-9-7-15(20)8-10-16/h2-12H,13H2,1H3,(H,21,23)
InChIKeyOILNEXXGEGMXTK-UHFFFAOYSA-N
XLogP3.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125125
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946
N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
CID 109119106
N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109119135
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109125118
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118463
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61041688
N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233085
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide (CID 109119112) is N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(Nc2ccc(F)cc2)nn1.
What is the InChIKey of N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide?
The InChIKey is OILNEXXGEGMXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-24(13-14-5-3-2-4-6-14)19(25)17-11-12-18(23-22-17)21-16-9-7-15(20)8-10-16/h2-12H,13H2,1H3,(H,21,23).
What are the key properties of N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide?
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.63, 5 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-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109119112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).