N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide

C19H17FN4O — CID 109119334

IUPACN-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
SMILESCc1ccccc1Nc1ccc(C(=O)NCc2ccccc2F)nn1
InChIInChI=1S/C19H17FN4O/c1-13-6-2-5-9-16(13)22-18-11-10-17(23-24-18)19(25)21-12-14-7-3-4-8-15(14)20/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyHQSAICFHFDJGJG-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.60
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide

N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide (PubChem CID 109119334) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
PubChem CID109119334
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
SMILESCc1ccccc1Nc1ccc(C(=O)NCc2ccccc2F)nn1
InChIInChI=1S/C19H17FN4O/c1-13-6-2-5-9-16(13)22-18-11-10-17(23-24-18)19(25)21-12-14-7-3-4-8-15(14)20/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyHQSAICFHFDJGJG-UHFFFAOYSA-N
XLogP3.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119356
N-[(2-fluorophenyl)methyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109119336
6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118178
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109281332
N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62248326
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121435
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide (CID 109119334) is N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide is Cc1ccccc1Nc1ccc(C(=O)NCc2ccccc2F)nn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide?
The InChIKey is HQSAICFHFDJGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-13-6-2-5-9-16(13)22-18-11-10-17(23-24-18)19(25)21-12-14-7-3-4-8-15(14)20/h2-11H,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109119334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).