N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide

C27H27F3N4O3 — CID 59436704

IUPACN-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCN1CCN(C(=O)c2ccc(NC(=O)c3cccc(-c4ccc(OC(F)(F)F)cc4)c3C)cn2)CC1
InChIInChI=1S/C27H27F3N4O3/c1-3-33-13-15-34(16-14-33)26(36)24-12-9-20(17-31-24)32-25(35)23-6-4-5-22(18(23)2)19-7-10-21(11-8-19)37-27(28,29)30/h4-12,17H,3,13-16H2,1-2H3,(H,32,35)
InChIKeyZEZSNCYZULMSDI-UHFFFAOYSA-N
MW512.53 g/mol
LogP4.99
Rot. Bonds6

About N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide

N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 59436704) has the molecular formula C27H27F3N4O3 and a molecular weight of 512.53 g/mol. Its IUPAC name is N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID59436704
Molecular FormulaC27H27F3N4O3
Molecular Weight512.53 g/mol
Exact Mass512.20
IUPAC NameN-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCCN1CCN(C(=O)c2ccc(NC(=O)c3cccc(-c4ccc(OC(F)(F)F)cc4)c3C)cn2)CC1
InChIInChI=1S/C27H27F3N4O3/c1-3-33-13-15-34(16-14-33)26(36)24-12-9-20(17-31-24)32-25(35)23-6-4-5-22(18(23)2)19-7-10-21(11-8-19)37-27(28,29)30/h4-12,17H,3,13-16H2,1-2H3,(H,32,35)
InChIKeyZEZSNCYZULMSDI-UHFFFAOYSA-N
XLogP4.99
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide (CID 59436704) is N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide is CCN1CCN(C(=O)c2ccc(NC(=O)c3cccc(-c4ccc(OC(F)(F)F)cc4)c3C)cn2)CC1.
What is the InChIKey of N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is ZEZSNCYZULMSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O3/c1-3-33-13-15-34(16-14-33)26(36)24-12-9-20(17-31-24)32-25(35)23-6-4-5-22(18(23)2)19-7-10-21(11-8-19)37-27(28,29)30/h4-12,17H,3,13-16H2,1-2H3,(H,32,35).
What are the key properties of N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide?
N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 512.53 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 59436704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).