3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide

C30H34F3N5O2 — CID 90408857

IUPAC3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
SMILESCCN1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4ccnc(N5CCOCC5)c4)c3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C30H34F3N5O2/c1-3-36-8-10-37(11-9-36)26-17-23(16-24(19-26)30(31,32)33)29(39)35-25-5-4-21(2)27(20-25)22-6-7-34-28(18-22)38-12-14-40-15-13-38/h4-7,16-20H,3,8-15H2,1-2H3,(H,35,39)
InChIKeyQVRGGLLSYRKKJZ-UHFFFAOYSA-N
MW553.63 g/mol
LogP5.31
Rot. Bonds6

About 3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide

3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 90408857) has the molecular formula C30H34F3N5O2 and a molecular weight of 553.63 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
PubChem CID90408857
Molecular FormulaC30H34F3N5O2
Molecular Weight553.63 g/mol
Exact Mass553.27
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
SMILESCCN1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4ccnc(N5CCOCC5)c4)c3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C30H34F3N5O2/c1-3-36-8-10-37(11-9-36)26-17-23(16-24(19-26)30(31,32)33)29(39)35-25-5-4-21(2)27(20-25)22-6-7-34-28(18-22)38-12-14-40-15-13-38/h4-7,16-20H,3,8-15H2,1-2H3,(H,35,39)
InChIKeyQVRGGLLSYRKKJZ-UHFFFAOYSA-N
XLogP5.31
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.63
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(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

1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 90409532
N-[3-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86297092
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridazine-4-carboxamide
CID 163513744
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
N-[4-[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 46881588
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
3-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
CID 86297692
2-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
CID 86297886
N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90407897
N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803184
3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
CID 90407957
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 44583657

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide (CID 90408857) is 3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide is CCN1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4ccnc(N5CCOCC5)c4)c3)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide?
The InChIKey is QVRGGLLSYRKKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N5O2/c1-3-36-8-10-37(11-9-36)26-17-23(16-24(19-26)30(31,32)33)29(39)35-25-5-4-21(2)27(20-25)22-6-7-34-28(18-22)38-12-14-40-15-13-38/h4-7,16-20H,3,8-15H2,1-2H3,(H,35,39).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide?
3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 553.63 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 90408857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).