N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C24H18F3N3O3 — CID 68847130

IUPACN-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cncc(C#CCO)c1
InChIInChI=1S/C24H18F3N3O3/c1-15-7-8-19(29-22(32)17-5-2-6-18(11-17)24(25,26)27)12-21(15)23(33)30-20-10-16(4-3-9-31)13-28-14-20/h2,5-8,10-14,31H,9H2,1H3,(H,29,32)(H,30,33)
InChIKeyDEDSZJSEVTXNKF-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.26
Rot. Bonds4

About N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 68847130) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID68847130
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cncc(C#CCO)c1
InChIInChI=1S/C24H18F3N3O3/c1-15-7-8-19(29-22(32)17-5-2-6-18(11-17)24(25,26)27)12-21(15)23(33)30-20-10-16(4-3-9-31)13-28-14-20/h2,5-8,10-14,31H,9H2,1H3,(H,29,32)(H,30,33)
InChIKeyDEDSZJSEVTXNKF-UHFFFAOYSA-N
XLogP4.26
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide 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-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366
N-[5-[3-(dimethylamino)propyl-methylamino]-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846552
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-[5-(methoxymethyl)-3-pyridinyl]-2-methylbenzamide
CID 68845465
2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956
2-chloro-N-(5-pyrrol-1-yl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845248
2-methyl-N-(2-methylpyrimidin-5-yl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 144732168
2-methyl-N-[2-[3-[[2-(prop-2-enoylamino)acetyl]amino]anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 71556703
N-[2-[3-[di(propanoyl)amino]anilino]pyrimidin-5-yl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 90644807
5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
N-[bis(3-hydroxypropyl)-oxo-λ6-sulfanylidene]-5-[2-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]ethynyl]pyridine-3-carboxamide
CID 118130069
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[5-(1H-pyrazol-4-yl)-3-pyridinyl]benzamide
CID 68844911

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 68847130) is N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cncc(C#CCO)c1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is DEDSZJSEVTXNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c1-15-7-8-19(29-22(32)17-5-2-6-18(11-17)24(25,26)27)12-21(15)23(33)30-20-10-16(4-3-9-31)13-28-14-20/h2,5-8,10-14,31H,9H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 453.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 68847130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).