2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide

C17H12F3N3O2 — CID 113011352

IUPAC2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccco2)nc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H12F3N3O2/c18-13-5-4-12(15(19)16(13)20)17(24)23-10-3-6-14(21-8-10)22-9-11-2-1-7-25-11/h1-8H,9H2,(H,21,22)(H,23,24)
InChIKeyAISIUBUWFSYVPR-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.96
Rot. Bonds5

About 2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide

2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide (PubChem CID 113011352) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
PubChem CID113011352
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccco2)nc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H12F3N3O2/c18-13-5-4-12(15(19)16(13)20)17(24)23-10-3-6-14(21-8-10)22-9-11-2-1-7-25-11/h1-8H,9H2,(H,21,22)(H,23,24)
InChIKeyAISIUBUWFSYVPR-UHFFFAOYSA-N
XLogP3.96
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011312
2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011315
3-amino-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
CID 39179353
3,4-difluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113026285
5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109279633
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 113012273
1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea
CID 113011360
2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902871
2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 112992005
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]pentanamide
CID 113026234
N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113026241

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide (CID 113011352) is 2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide is O=C(Nc1ccc(NCc2ccco2)nc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide?
The InChIKey is AISIUBUWFSYVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-13-5-4-12(15(19)16(13)20)17(24)23-10-3-6-14(21-8-10)22-9-11-2-1-7-25-11/h1-8H,9H2,(H,21,22)(H,23,24).
What are the key properties of 2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide?
2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide has a molecular weight of 347.30 g/mol, XLogP of 3.96, 5 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-(furan-2-ylmethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113011352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).