N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

C17H19F3N4O2 — CID 162379775

IUPACN-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCCN(CC(O)c1cccnn1)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H19F3N4O2/c1-2-8-24(11-14(25)13-4-3-7-22-23-13)16(26)9-12-5-6-15(21-10-12)17(18,19)20/h3-7,10,14,25H,2,8-9,11H2,1H3
InChIKeyOQMVEMOEEIDGML-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.41
Rot. Bonds7

About N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 162379775) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID162379775
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCCN(CC(O)c1cccnn1)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H19F3N4O2/c1-2-8-24(11-14(25)13-4-3-7-22-23-13)16(26)9-12-5-6-15(21-10-12)17(18,19)20/h3-7,10,14,25H,2,8-9,11H2,1H3
InChIKeyOQMVEMOEEIDGML-UHFFFAOYSA-N
XLogP2.41
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 168923909
tert-butyl N-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]ethyl]carbamate
CID 162379714
N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 168923951
N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide
CID 168923813
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379778
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69375151
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 122703513
methyl (3S)-3-[[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]butanoate
CID 166258109
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid
CID 82325138

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 162379775) is N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is CCCN(CC(O)c1cccnn1)C(=O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is OQMVEMOEEIDGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-2-8-24(11-14(25)13-4-3-7-22-23-13)16(26)9-12-5-6-15(21-10-12)17(18,19)20/h3-7,10,14,25H,2,8-9,11H2,1H3.
What are the key properties of N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 162379775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).