N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide

C15H15F3N4O2 — CID 126769708

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C15H15F3N4O2/c1-22(9-7-11-4-2-3-8-19-11)14(23)12-5-6-13(21-20-12)24-10-15(16,17)18/h2-6,8H,7,9-10H2,1H3
InChIKeyBGEXVAIDKSTCDQ-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.13
Rot. Bonds6

About N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide

N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide (PubChem CID 126769708) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
PubChem CID126769708
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C15H15F3N4O2/c1-22(9-7-11-4-2-3-8-19-11)14(23)12-5-6-13(21-20-12)24-10-15(16,17)18/h2-6,8H,7,9-10H2,1H3
InChIKeyBGEXVAIDKSTCDQ-UHFFFAOYSA-N
XLogP2.13
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
N-methyl-N-(2-pyridin-2-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 173146206
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
2-(2-fluorophenyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 60616184
(2R)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943722
(2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943721

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide (CID 126769708) is N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide is CN(CCc1ccccn1)C(=O)c1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The InChIKey is BGEXVAIDKSTCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-22(9-7-11-4-2-3-8-19-11)14(23)12-5-6-13(21-20-12)24-10-15(16,17)18/h2-6,8H,7,9-10H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide is sourced from PubChem (CID 126769708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).