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

C18H12FN5O — CID 109128394

IUPACN-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3ccccc3F)nn2)cc1
InChIInChI=1S/C18H12FN5O/c19-14-3-1-2-4-15(14)22-17-10-9-16(23-24-17)18(25)21-13-7-5-12(11-20)6-8-13/h1-10H,(H,21,25)(H,22,24)
InChIKeyQCXFNFYZSIQYHQ-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.48
Rot. Bonds4

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

N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109128394) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109128394
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC NameN-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3ccccc3F)nn2)cc1
InChIInChI=1S/C18H12FN5O/c19-14-3-1-2-4-15(14)22-17-10-9-16(23-24-17)18(25)21-13-7-5-12(11-20)6-8-13/h1-10H,(H,21,25)(H,22,24)
InChIKeyQCXFNFYZSIQYHQ-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-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128353
6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128356
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-(2-tert-butylphenyl)-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109128319
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128508
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
6-(2-cyanoanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129535
6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128181

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide (CID 109128394) is N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide is N#Cc1ccc(NC(=O)c2ccc(Nc3ccccc3F)nn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is QCXFNFYZSIQYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-14-3-1-2-4-15(14)22-17-10-9-16(23-24-17)18(25)21-13-7-5-12(11-20)6-8-13/h1-10H,(H,21,25)(H,22,24).
What are the key properties of N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide?
N-(4-cyanophenyl)-6-(2-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-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).