[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C18H13F3N4O — CID 134539241

IUPAC[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)14-5-1-4-13(9-14)17(26)15-6-7-16(25-24-15)23-11-12-3-2-8-22-10-12/h1-10H,11H2,(H,23,25)
InChIKeyWEPYTGWKPDMZGJ-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.73
Rot. Bonds5

About [6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 134539241) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is [6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID134539241
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)14-5-1-4-13(9-14)17(26)15-6-7-16(25-24-15)23-11-12-3-2-8-22-10-12/h1-10H,11H2,(H,23,25)
InChIKeyWEPYTGWKPDMZGJ-UHFFFAOYSA-N
XLogP3.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 151619613
6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121178
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
6-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109121320
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 117090190
N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109109633
N,N-diethyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109120969
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121053
N-(2,4-difluorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121063

Frequently Asked Questions

What is the IUPAC name of [6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 134539241) is [6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1ccc(NCc2cccnc2)nn1.
What is the InChIKey of [6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is WEPYTGWKPDMZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)14-5-1-4-13(9-14)17(26)15-6-7-16(25-24-15)23-11-12-3-2-8-22-10-12/h1-10H,11H2,(H,23,25).
What are the key properties of [6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 358.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134539241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).