N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide

C19H17FN4O — CID 109128102

IUPACN-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2cccc(F)c2)nn1)c1ccccc1
InChIInChI=1S/C19H17FN4O/c1-2-24(16-9-4-3-5-10-16)19(25)17-11-12-18(23-22-17)21-15-8-6-7-14(20)13-15/h3-13H,2H2,1H3,(H,21,23)
InChIKeyHPTLFFYIKQVYAV-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.03
Rot. Bonds5

About N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide

N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide (PubChem CID 109128102) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide
PubChem CID109128102
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2cccc(F)c2)nn1)c1ccccc1
InChIInChI=1S/C19H17FN4O/c1-2-24(16-9-4-3-5-10-16)19(25)17-11-12-18(23-22-17)21-15-8-6-7-14(20)13-15/h3-13H,2H2,1H3,(H,21,23)
InChIKeyHPTLFFYIKQVYAV-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127276
N-ethyl-5-(3-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291751
N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
CID 109128101
2-N-ethyl-4-N-(3-fluorophenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092385
6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114048
N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
CID 109121948
6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109755
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109117833
5-N-ethyl-3-N-(3-fluorophenyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108560
N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109119784

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide (CID 109128102) is N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide is CCN(C(=O)c1ccc(Nc2cccc(F)c2)nn1)c1ccccc1.
What is the InChIKey of N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide?
The InChIKey is HPTLFFYIKQVYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-24(16-9-4-3-5-10-16)19(25)17-11-12-18(23-22-17)21-15-8-6-7-14(20)13-15/h3-13H,2H2,1H3,(H,21,23).
What are the key properties of N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide?
N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109128102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).