N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide

C18H14ClFN4O — CID 109119919

IUPACN-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C18H14ClFN4O/c19-13-7-5-12(6-8-13)11-21-18(25)16-9-10-17(24-23-16)22-15-4-2-1-3-14(15)20/h1-10H,11H2,(H,21,25)(H,22,24)
InChIKeyDRIWIXJOAZDEHJ-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.94
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109119919) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109119919
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C18H14ClFN4O/c19-13-7-5-12(6-8-13)11-21-18(25)16-9-10-17(24-23-16)22-15-4-2-1-3-14(15)20/h1-10H,11H2,(H,21,25)(H,22,24)
InChIKeyDRIWIXJOAZDEHJ-UHFFFAOYSA-N
XLogP3.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121435
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109120467
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
CID 109157003
6-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119292
N-benzyl-6-(5-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109117923
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119356
N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109119334

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide (CID 109119919) is N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(Nc2ccccc2F)nn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is DRIWIXJOAZDEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-13-7-5-12(6-8-13)11-21-18(25)16-9-10-17(24-23-16)22-15-4-2-1-3-14(15)20/h1-10H,11H2,(H,21,25)(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109119919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).