6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide

C18H12FN5O — CID 109128566

IUPAC6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C18H12FN5O/c19-13-4-6-14(7-5-13)22-18(25)16-8-9-17(24-23-16)21-15-3-1-2-12(10-15)11-20/h1-10H,(H,21,24)(H,22,25)
InChIKeyNEXYLPSODBDGTI-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.48
Rot. Bonds4

About 6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide

6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide (PubChem CID 109128566) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
PubChem CID109128566
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC Name6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C18H12FN5O/c19-13-4-6-14(7-5-13)22-18(25)16-8-9-17(24-23-16)21-15-3-1-2-12(10-15)11-20/h1-10H,(H,21,24)(H,22,25)
InChIKeyNEXYLPSODBDGTI-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

6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122198
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109128993
6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849978
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109130131
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide (CID 109128566) is 6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide is N#Cc1cccc(Nc2ccc(C(=O)Nc3ccc(F)cc3)nn2)c1.
What is the InChIKey of 6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
The InChIKey is NEXYLPSODBDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-13-4-6-14(7-5-13)22-18(25)16-8-9-17(24-23-16)21-15-3-1-2-12(10-15)11-20/h1-10H,(H,21,24)(H,22,25).
What are the key properties of 6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
6-(3-cyanoanilino)-N-(4-fluorophenyl)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 6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).