6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide

C18H13F3N4O — CID 109127073

IUPAC6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3F)nn2)cc1
InChIInChI=1S/C18H13F3N4O/c1-10-2-4-11(5-3-10)22-15-9-8-14(24-25-15)18(26)23-13-7-6-12(19)16(20)17(13)21/h2-9H,1H3,(H,22,25)(H,23,26)
InChIKeyUCEMPVFQHZJEQJ-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.20
Rot. Bonds4

About 6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide

6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide (PubChem CID 109127073) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
PubChem CID109127073
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3F)nn2)cc1
InChIInChI=1S/C18H13F3N4O/c1-10-2-4-11(5-3-10)22-15-9-8-14(24-25-15)18(26)23-13-7-6-12(19)16(20)17(13)21/h2-9H,1H3,(H,22,25)(H,23,26)
InChIKeyUCEMPVFQHZJEQJ-UHFFFAOYSA-N
XLogP4.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109126640
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109197557
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490
6-(4-methylanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126943
N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109109786
N-tert-butyl-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109124849
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109242185
6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109119521

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide (CID 109127073) is 6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3F)nn2)cc1.
What is the InChIKey of 6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The InChIKey is UCEMPVFQHZJEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-10-2-4-11(5-3-10)22-15-9-8-14(24-25-15)18(26)23-13-7-6-12(19)16(20)17(13)21/h2-9H,1H3,(H,22,25)(H,23,26).
What are the key properties of 6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109127073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).