2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide

C18H19F3N4O — CID 58997284

IUPAC2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide
SMILESCN1CCC(Nc2cccc(NC(=O)c3ccc(F)c(F)c3F)n2)CC1
InChIInChI=1S/C18H19F3N4O/c1-25-9-7-11(8-10-25)22-14-3-2-4-15(23-14)24-18(26)12-5-6-13(19)17(21)16(12)20/h2-6,11H,7-10H2,1H3,(H2,22,23,24,26)
InChIKeyPJYOGAZXDFTIBY-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.26
Rot. Bonds4

About 2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide

2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide (PubChem CID 58997284) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide
PubChem CID58997284
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide
SMILESCN1CCC(Nc2cccc(NC(=O)c3ccc(F)c(F)c3F)n2)CC1
InChIInChI=1S/C18H19F3N4O/c1-25-9-7-11(8-10-25)22-14-3-2-4-15(23-14)24-18(26)12-5-6-13(19)17(21)16(12)20/h2-6,11H,7-10H2,1H3,(H2,22,23,24,26)
InChIKeyPJYOGAZXDFTIBY-UHFFFAOYSA-N
XLogP3.26
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]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

2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride
CID 66939247
2,4-difluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydrochloride
CID 69074371
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2,3,4-trifluorobenzamide
CID 113042948
3-chloro-2-fluoro-N-[6-[(1-methylpiperidin-4-yl)methyl]-2-pyridinyl]benzamide
CID 175281836
CID 88581631
CID 88581631
CID 70639140
CID 70639140
2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 141257396
2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94915286
2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039235
N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide
CID 82330987
2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
CID 69063392
2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide
CID 58997345

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide (CID 58997284) is 2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide is CN1CCC(Nc2cccc(NC(=O)c3ccc(F)c(F)c3F)n2)CC1.
What is the InChIKey of 2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide?
The InChIKey is PJYOGAZXDFTIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-25-9-7-11(8-10-25)22-14-3-2-4-15(23-14)24-18(26)12-5-6-13(19)17(21)16(12)20/h2-6,11H,7-10H2,1H3,(H2,22,23,24,26).
What are the key properties of 2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide?
2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide has a molecular weight of 364.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 58997284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).