N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide

C24H23F3N4O2 — CID 46053738

IUPACN-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H23F3N4O2/c25-24(26,27)20-7-3-2-6-19(20)23(33)29-18-9-10-22(28-15-18)31-13-11-30(12-14-31)16-17-5-1-4-8-21(17)32/h1-10,15,32H,11-14,16H2,(H,29,33)
InChIKeyBFLINSZGQJNDHH-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.38
Rot. Bonds5

About N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide

N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide (PubChem CID 46053738) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide
PubChem CID46053738
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H23F3N4O2/c25-24(26,27)20-7-3-2-6-19(20)23(33)29-18-9-10-22(28-15-18)31-13-11-30(12-14-31)16-17-5-1-4-8-21(17)32/h1-10,15,32H,11-14,16H2,(H,29,33)
InChIKeyBFLINSZGQJNDHH-UHFFFAOYSA-N
XLogP4.38
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)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

Sonidegib
CID 24775005
2-Hydroxy-N-2-pyridinylbenzamide
CID 202935
Nevirapin 4-substituted deriv. 4aa
CID 464546
2,4-Bisanilinopyrimidine, 55
CID 44224077
Sonidegib;LDE225; NVP-LDE 225
CID 53396339
2-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-yl]-N-(2-piperidin-1-yl-ethyl)-benzamide
CID 135530494
8-{[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl}-4-[(2-fluoro-5-hydroxy-4-methylphenyl)amino]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
CID 121371495
1-(2-Hydroxy-phenyl)-6-(4-pyridin-2-yl-piperazin-1-yl)-hexan-1-one
CID 11131952
3-Hydroxy-4-iodo-anthracene-2-carboxylic acid (6-guanidino-pyridin-3-yl)-amide
CID 44304084
3-Hydroxy-anthracene-2-carboxylic acid (6-guanidino-pyridin-3-yl)-amide
CID 44304087
N-[5-(2,2-dimethylpropanoylamino)-2-pyridinyl]-3-hydroxybenzamide
CID 44450315
3-fluoro-N-[2-[4-[(3-hydroxyphenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 44528172

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide (CID 46053738) is N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide is O=C(Nc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide?
The InChIKey is BFLINSZGQJNDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c25-24(26,27)20-7-3-2-6-19(20)23(33)29-18-9-10-22(28-15-18)31-13-11-30(12-14-31)16-17-5-1-4-8-21(17)32/h1-10,15,32H,11-14,16H2,(H,29,33).
What are the key properties of N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide?
N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide has a molecular weight of 456.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 46053738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).