6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide

C20H19FN4O — CID 133350267

IUPAC6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
SMILESCc1ccc(C(C)Nc2ccc(C(=O)Nc3ccccc3)nn2)cc1F
InChIInChI=1S/C20H19FN4O/c1-13-8-9-15(12-17(13)21)14(2)22-19-11-10-18(24-25-19)20(26)23-16-6-4-3-5-7-16/h3-12,14H,1-2H3,(H,22,25)(H,23,26)
InChIKeyKFFRCVKSTSHVEE-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.35
Rot. Bonds5

About 6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide

6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133350267) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
PubChem CID133350267
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
SMILESCc1ccc(C(C)Nc2ccc(C(=O)Nc3ccccc3)nn2)cc1F
InChIInChI=1S/C20H19FN4O/c1-13-8-9-15(12-17(13)21)14(2)22-19-11-10-18(24-25-19)20(26)23-16-6-4-3-5-7-16/h3-12,14H,1-2H3,(H,22,25)(H,23,26)
InChIKeyKFFRCVKSTSHVEE-UHFFFAOYSA-N
XLogP4.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-(ethylamino)-N-(3-fluoro-4-methylphenyl)pyridazine-3-carboxamide
CID 62166237
6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide
CID 133313240
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369164
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109497
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187
ethyl 2-[[6-(1-phenylethylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109118806

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide (CID 133350267) is 6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide is Cc1ccc(C(C)Nc2ccc(C(=O)Nc3ccccc3)nn2)cc1F.
What is the InChIKey of 6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is KFFRCVKSTSHVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-8-9-15(12-17(13)21)14(2)22-19-11-10-18(24-25-19)20(26)23-16-6-4-3-5-7-16/h3-12,14H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide?
6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133350267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).