N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide

C16H15F3N4O2 — CID 154825954

IUPACN,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide
SMILESCN(C)C(=O)c1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C16H15F3N4O2/c1-22(2)15(25)10-5-3-4-9-7-23(8-11(9)10)12-6-20-21-14(24)13(12)16(17,18)19/h3-6,13H,7-8H2,1-2H3
InChIKeyLSMFCHNSPWVMSC-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.72
Rot. Bonds2

About N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide

N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide (PubChem CID 154825954) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide
PubChem CID154825954
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC NameN,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide
SMILESCN(C)C(=O)c1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C16H15F3N4O2/c1-22(2)15(25)10-5-3-4-9-7-23(8-11(9)10)12-6-20-21-14(24)13(12)16(17,18)19/h3-6,13H,7-8H2,1-2H3
InChIKeyLSMFCHNSPWVMSC-UHFFFAOYSA-N
XLogP2.72
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide 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

(10bR)-2-methyl-7-(trifluoromethyl)-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 44420682
2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-1-methyl-3-oxo-1H-isoindole-4-carboxamide
CID 49873227
US10550105, Example 269
CID 154825946
US10550105, Example 262
CID 154825939
1-benzoyl-N-ethyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680419
N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680423
N-methyl-3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 45802374
1H-Isoindole-1,3(2H)-dione, 2-[[3-(trifluoromethyl)phenyl]methyl]-
CID 627704
3,3-Dimethyl-2-propan-2-yl-4-(trifluoromethyl)isoindol-1-one
CID 101911651
N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide
CID 138975919
2-[(3R)-3-azido-5,5,5-trifluoro-3-methylpentyl]isoindole-1,3-dione
CID 176438060
(3Z)-2-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]isoindol-1-one
CID 177849803

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide (CID 154825954) is N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide is CN(C)C(=O)c1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2.
What is the InChIKey of N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide?
The InChIKey is LSMFCHNSPWVMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-22(2)15(25)10-5-3-4-9-7-23(8-11(9)10)12-6-20-21-14(24)13(12)16(17,18)19/h3-6,13H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide?
N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide is sourced from PubChem (CID 154825954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).