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

C17H15F3N4O2 — CID 109187206

IUPAC5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=CN1CCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3F)nc2)CC1
InChIInChI=1S/C17H15F3N4O2/c18-12-2-4-13(16(20)15(12)19)22-17(26)14-3-1-11(9-21-14)24-7-5-23(10-25)6-8-24/h1-4,9-10H,5-8H2,(H,22,26)
InChIKeyIGHXYHYSCLFKLN-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.03
Rot. Bonds4

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

5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 109187206) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID109187206
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=CN1CCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3F)nc2)CC1
InChIInChI=1S/C17H15F3N4O2/c18-12-2-4-13(16(20)15(12)19)22-17(26)14-3-1-11(9-21-14)24-7-5-23(10-25)6-8-24/h1-4,9-10H,5-8H2,(H,22,26)
InChIKeyIGHXYHYSCLFKLN-UHFFFAOYSA-N
XLogP2.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[5-(4-formylpiperazin-1-yl)pyridine-2-carbonyl]amino]benzoate
CID 109187201
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109194366
N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109187203
4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109208700
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109053853
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113026047
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586
N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209004
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193919
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 109187206) is 5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is O=CN1CCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3F)nc2)CC1.
What is the InChIKey of 5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is IGHXYHYSCLFKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c18-12-2-4-13(16(20)15(12)19)22-17(26)14-3-1-11(9-21-14)24-7-5-23(10-25)6-8-24/h1-4,9-10H,5-8H2,(H,22,26).
What are the key properties of 5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109187206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).