N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide

C18H12FN5O — CID 109128508

IUPACN-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C18H12FN5O/c19-13-5-7-14(8-6-13)21-17-10-9-16(23-24-17)18(25)22-15-4-2-1-3-12(15)11-20/h1-10H,(H,21,24)(H,22,25)
InChIKeyODKYECXWLRVYBM-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.48
Rot. Bonds4

About N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide

N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109128508) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109128508
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC NameN-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C18H12FN5O/c19-13-5-7-14(8-6-13)21-17-10-9-16(23-24-17)18(25)22-15-4-2-1-3-12(15)11-20/h1-10H,(H,21,24)(H,22,25)
InChIKeyODKYECXWLRVYBM-UHFFFAOYSA-N
XLogP3.48
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130365
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 109130126
N-(2-cyanophenyl)-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109130305
N-(2-cyanophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127922
N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127858
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128462
6-(2-cyanoanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127698
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317
N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113037053
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109130309
6-amino-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 55043296

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide (CID 109128508) is N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide is N#Cc1ccccc1NC(=O)c1ccc(Nc2ccc(F)cc2)nn1.
What is the InChIKey of N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is ODKYECXWLRVYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-13-5-7-14(8-6-13)21-17-10-9-16(23-24-17)18(25)22-15-4-2-1-3-12(15)11-20/h1-10H,(H,21,24)(H,22,25).
What are the key properties of N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 333.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).