N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C28H32F3N5O3 — CID 44586135

IUPACN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C28H32F3N5O3/c1-2-39-25-11-4-3-10-24(25)36-15-13-35(14-16-36)19-22(37)18-33-27(38)23-9-6-12-32-26(23)34-21-8-5-7-20(17-21)28(29,30)31/h3-12,17,22,37H,2,13-16,18-19H2,1H3,(H,32,34)(H,33,38)
InChIKeyQLMSZKYUVXSUOT-UHFFFAOYSA-N
MW543.59 g/mol
LogP4.16
Rot. Bonds10

About N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 44586135) has the molecular formula C28H32F3N5O3 and a molecular weight of 543.59 g/mol. Its IUPAC name is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID44586135
Molecular FormulaC28H32F3N5O3
Molecular Weight543.59 g/mol
Exact Mass543.25
IUPAC NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C28H32F3N5O3/c1-2-39-25-11-4-3-10-24(25)36-15-13-35(14-16-36)19-22(37)18-33-27(38)23-9-6-12-32-26(23)34-21-8-5-7-20(17-21)28(29,30)31/h3-12,17,22,37H,2,13-16,18-19H2,1H3,(H,32,34)(H,33,38)
InChIKeyQLMSZKYUVXSUOT-UHFFFAOYSA-N
XLogP4.16
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.59
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-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

2-[3-(dimethylamino)anilino]-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586119
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 44586183
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 15523797
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 44586100
N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
CID 101064384
1-[2-[(2S)-2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]phenyl]ethanone
CID 1252724
(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 55976721
N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 56509980
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 55932397
2-dimethoxyphosphoryl-1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]ethanone
CID 89290625
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 38602896
[2-(ethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2365493

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 44586135) is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is QLMSZKYUVXSUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O3/c1-2-39-25-11-4-3-10-24(25)36-15-13-35(14-16-36)19-22(37)18-33-27(38)23-9-6-12-32-26(23)34-21-8-5-7-20(17-21)28(29,30)31/h3-12,17,22,37H,2,13-16,18-19H2,1H3,(H,32,34)(H,33,38).
What are the key properties of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 543.59 g/mol, XLogP of 4.16, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 44586135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).