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

C18H19F3N4O — CID 109208700

IUPAC4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccnc(C(=O)Nc3ccc(F)c(F)c3F)c2)CC1
InChIInChI=1S/C18H19F3N4O/c1-2-24-7-9-25(10-8-24)12-5-6-22-15(11-12)18(26)23-14-4-3-13(19)16(20)17(14)21/h3-6,11H,2,7-10H2,1H3,(H,23,26)
InChIKeyRWUSNMIMCFWDLO-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.89
Rot. Bonds4

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

4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 109208700) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID109208700
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccnc(C(=O)Nc3ccc(F)c(F)c3F)c2)CC1
InChIInChI=1S/C18H19F3N4O/c1-2-24-7-9-25(10-8-24)12-5-6-22-15(11-12)18(26)23-14-4-3-13(19)16(20)17(14)21/h3-6,11H,2,7-10H2,1H3,(H,23,26)
InChIKeyRWUSNMIMCFWDLO-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'}

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Related Compounds

N-(2,5-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208689
5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109230711
N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208641
N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208668
4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109216613
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109217060
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203970
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109209206

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 109208700) is 4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is CCN1CCN(c2ccnc(C(=O)Nc3ccc(F)c(F)c3F)c2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is RWUSNMIMCFWDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-2-24-7-9-25(10-8-24)12-5-6-22-15(11-12)18(26)23-14-4-3-13(19)16(20)17(14)21/h3-6,11H,2,7-10H2,1H3,(H,23,26).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-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 4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109208700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).