N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide

C17H19F3N4O2 — CID 168924003

IUPACN-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide
SMILESCCC(=O)N(CCc1ccc(C(F)(F)F)nc1)CC(O)c1cccnn1
InChIInChI=1S/C17H19F3N4O2/c1-2-16(26)24(11-14(25)13-4-3-8-22-23-13)9-7-12-5-6-15(21-10-12)17(18,19)20/h3-6,8,10,14,25H,2,7,9,11H2,1H3
InChIKeyHJPSSBBAYNOOMH-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.41
Rot. Bonds7

About N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide

N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide (PubChem CID 168924003) 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-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide
PubChem CID168924003
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide
SMILESCCC(=O)N(CCc1ccc(C(F)(F)F)nc1)CC(O)c1cccnn1
InChIInChI=1S/C17H19F3N4O2/c1-2-16(26)24(11-14(25)13-4-3-8-22-23-13)9-7-12-5-6-15(21-10-12)17(18,19)20/h3-6,8,10,14,25H,2,7,9,11H2,1H3
InChIKeyHJPSSBBAYNOOMH-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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide?
The IUPAC name of N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide (CID 168924003) is N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide.
What is the SMILES notation for N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide?
The canonical SMILES for N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide is CCC(=O)N(CCc1ccc(C(F)(F)F)nc1)CC(O)c1cccnn1.
What is the InChIKey of N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide?
The InChIKey is HJPSSBBAYNOOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-2-16(26)24(11-14(25)13-4-3-8-22-23-13)9-7-12-5-6-15(21-10-12)17(18,19)20/h3-6,8,10,14,25H,2,7,9,11H2,1H3.
What are the key properties of N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide?
N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide 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-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide is sourced from PubChem (CID 168924003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).