N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide

C18H10F3N5O — CID 109130365

IUPACN-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(Nc2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C18H10F3N5O/c19-11-5-6-13(17(21)16(11)20)23-15-8-7-14(25-26-15)18(27)24-12-4-2-1-3-10(12)9-22/h1-8H,(H,23,26)(H,24,27)
InChIKeyKYVHHXRIRCARTO-UHFFFAOYSA-N
MW369.31 g/mol
LogP3.76
Rot. Bonds4

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

N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide (PubChem CID 109130365) has the molecular formula C18H10F3N5O and a molecular weight of 369.31 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
PubChem CID109130365
Molecular FormulaC18H10F3N5O
Molecular Weight369.31 g/mol
Exact Mass369.08
IUPAC NameN-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(Nc2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C18H10F3N5O/c19-11-5-6-13(17(21)16(11)20)23-15-8-7-14(25-26-15)18(27)24-12-4-2-1-3-10(12)9-22/h1-8H,(H,23,26)(H,24,27)
InChIKeyKYVHHXRIRCARTO-UHFFFAOYSA-N
XLogP3.76
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128508
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 109130126
N-[6-(2-cyanoanilino)pyridazin-3-yl]-2,3,4-trifluorobenzamide
CID 113051140
N-(2-cyanophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127922
6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109126640
N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127858
N-(2-cyanophenyl)-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109130305
6-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127570
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317
4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222708
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109130309
4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109093370

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide (CID 109130365) is N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide is N#Cc1ccccc1NC(=O)c1ccc(Nc2ccc(F)c(F)c2F)nn1.
What is the InChIKey of N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
The InChIKey is KYVHHXRIRCARTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5O/c19-11-5-6-13(17(21)16(11)20)23-15-8-7-14(25-26-15)18(27)24-12-4-2-1-3-10(12)9-22/h1-8H,(H,23,26)(H,24,27).
What are the key properties of N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide has a molecular weight of 369.31 g/mol, XLogP of 3.76, 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-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109130365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).