N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

C18H14F3N5O — CID 109120891

IUPACN-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)12-4-3-6-13(10-12)24-16-8-7-15(25-26-16)17(27)23-11-14-5-1-2-9-22-14/h1-10H,11H2,(H,23,27)(H,24,26)
InChIKeyHDEDKRUPYGPNON-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.56
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (PubChem CID 109120891) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
PubChem CID109120891
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC NameN-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)12-4-3-6-13(10-12)24-16-8-7-15(25-26-16)17(27)23-11-14-5-1-2-9-22-14/h1-10H,11H2,(H,23,27)(H,24,26)
InChIKeyHDEDKRUPYGPNON-UHFFFAOYSA-N
XLogP3.56
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120863
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121178
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120843
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120909
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (CID 109120891) is N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is O=C(NCc1ccccn1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is HDEDKRUPYGPNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c19-18(20,21)12-4-3-6-13(10-12)24-16-8-7-15(25-26-16)17(27)23-11-14-5-1-2-9-22-14/h1-10H,11H2,(H,23,27)(H,24,26).
What are the key properties of N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109120891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).