N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide

C19H20ClF3N4O2 — CID 133274906

IUPACN-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c2Cl)C1
InChIInChI=1S/C19H20ClF3N4O2/c1-12(28)24-9-13-4-3-7-26(11-13)16-10-25-27(18(29)17(16)20)15-6-2-5-14(8-15)19(21,22)23/h2,5-6,8,10,13H,3-4,7,9,11H2,1H3,(H,24,28)
InChIKeyBHLWKRAKFOLNPI-UHFFFAOYSA-N
MW428.84 g/mol
LogP3.26
Rot. Bonds4

About N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide

N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide (PubChem CID 133274906) has the molecular formula C19H20ClF3N4O2 and a molecular weight of 428.84 g/mol. Its IUPAC name is N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide
PubChem CID133274906
Molecular FormulaC19H20ClF3N4O2
Molecular Weight428.84 g/mol
Exact Mass428.12
IUPAC NameN-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c2Cl)C1
InChIInChI=1S/C19H20ClF3N4O2/c1-12(28)24-9-13-4-3-7-26(11-13)16-10-25-27(18(29)17(16)20)15-6-2-5-14(8-15)19(21,22)23/h2,5-6,8,10,13H,3-4,7,9,11H2,1H3,(H,24,28)
InChIKeyBHLWKRAKFOLNPI-UHFFFAOYSA-N
XLogP3.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-chloro-4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]piperidin-3-yl]methyl]acetamide
CID 133274900
4-chloro-5-(3-methylsulfanylazepan-1-yl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133394997
4-chloro-5-[(1-methylpiperidin-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133430497
(2S)-1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrrolidine-2-carboxylic acid
CID 122059819
5-(3-anilinopyrrolidin-1-yl)-4-chloro-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133301471
4-chloro-5-[2-(2-methylphenyl)morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133354112
N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 52790105
N-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]acetamide
CID 60595066
2-[1-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]piperidin-3-yl]acetamide
CID 133355966
5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine
CID 52874102
4-chloro-5-[(3,5-dimethylpyrazolidin-4-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133306073
4-chloro-5-[[2-cyclopropyl-2-(dimethylamino)ethyl]amino]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133454205

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide (CID 133274906) is N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(c2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c2Cl)C1.
What is the InChIKey of N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide?
The InChIKey is BHLWKRAKFOLNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O2/c1-12(28)24-9-13-4-3-7-26(11-13)16-10-25-27(18(29)17(16)20)15-6-2-5-14(8-15)19(21,22)23/h2,5-6,8,10,13H,3-4,7,9,11H2,1H3,(H,24,28).
What are the key properties of N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide?
N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide has a molecular weight of 428.84 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 133274906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).