2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide

C15H16F3N5O2 — CID 45217832

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide
SMILESCN(C)c1cnn(CC(=O)NC(c2ccccn2)C(F)(F)F)c(=O)c1
InChIInChI=1S/C15H16F3N5O2/c1-22(2)10-7-13(25)23(20-8-10)9-12(24)21-14(15(16,17)18)11-5-3-4-6-19-11/h3-8,14H,9H2,1-2H3,(H,21,24)
InChIKeyALZFQJBWLDFYQB-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.12
Rot. Bonds5

About 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide (PubChem CID 45217832) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide
PubChem CID45217832
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide
SMILESCN(C)c1cnn(CC(=O)NC(c2ccccn2)C(F)(F)F)c(=O)c1
InChIInChI=1S/C15H16F3N5O2/c1-22(2)10-7-13(25)23(20-8-10)9-12(24)21-14(15(16,17)18)11-5-3-4-6-19-11/h3-8,14H,9H2,1-2H3,(H,21,24)
InChIKeyALZFQJBWLDFYQB-UHFFFAOYSA-N
XLogP1.12
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide with MolForge

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Related Compounds

2-(6-Chloro-3-((2,2-difluoro-2-(2-pyridinyl)ethyl)amino)-2-oxo-1(2H)-pyrazinyl)-N-((2-fluoro-6-pyridinyl)methyl)acetamide
CID 447219
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
2-(azepan-1-yl)-2-oxo-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6884226
N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 78426670
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)-
CID 454397
2-(2-cyclooctylidenehydrazinyl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 5023161
(3E)-N-cyclohexyl-3-[2-(pyridin-2-ylcarbonyl)hydrazinylidene]butanamide
CID 9592571
N-methyl-2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]acetamide
CID 9593898
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-pyridin-2-ylmethyl-acetamide
CID 11811735
2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(2-(pyridin-2-yl)ethyl)acetamide
CID 45280797
N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide
CID 3114026

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide (CID 45217832) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide is CN(C)c1cnn(CC(=O)NC(c2ccccn2)C(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide?
The InChIKey is ALZFQJBWLDFYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-22(2)10-7-13(25)23(20-8-10)9-12(24)21-14(15(16,17)18)11-5-3-4-6-19-11/h3-8,14H,9H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide has a molecular weight of 355.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 45217832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).