5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

C18H19F3N4O — CID 109230711

IUPAC5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3ccc(F)c(F)c3F)c2)CC1
InChIInChI=1S/C18H19F3N4O/c1-2-24-5-7-25(8-6-24)13-9-12(10-22-11-13)18(26)23-15-4-3-14(19)16(20)17(15)21/h3-4,9-11H,2,5-8H2,1H3,(H,23,26)
InChIKeyCPJVAHXMGQCMAF-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.89
Rot. Bonds4

About 5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 109230711) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
PubChem CID109230711
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3ccc(F)c(F)c3F)c2)CC1
InChIInChI=1S/C18H19F3N4O/c1-2-24-5-7-25(8-6-24)13-9-12(10-22-11-13)18(26)23-15-4-3-14(19)16(20)17(15)21/h3-4,9-11H,2,5-8H2,1H3,(H,23,26)
InChIKeyCPJVAHXMGQCMAF-UHFFFAOYSA-N
XLogP2.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)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

N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109208700
N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230698
5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109230694
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109101322
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224744
N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230708
5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109223965
N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225802
N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109229091
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-fluoro-4-methylbenzamide
CID 36566549

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (CID 109230711) is 5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is CCN1CCN(c2cncc(C(=O)Nc3ccc(F)c(F)c3F)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is CPJVAHXMGQCMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-2-24-5-7-25(8-6-24)13-9-12(10-22-11-13)18(26)23-15-4-3-14(19)16(20)17(15)21/h3-4,9-11H,2,5-8H2,1H3,(H,23,26).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109230711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).