N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

C20H14F3N3O2 — CID 108926408

IUPACN-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2ccc(F)c(F)c2F)c1)c1cccnc1
InChIInChI=1S/C20H14F3N3O2/c21-16-7-6-15(17(22)18(16)23)20(28)26-14-5-1-3-12(9-14)10-25-19(27)13-4-2-8-24-11-13/h1-9,11H,10H2,(H,25,27)(H,26,28)
InChIKeyWXPCKGVDJWJFHU-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.68
Rot. Bonds5

About N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926408) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926408
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC NameN-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2ccc(F)c(F)c2F)c1)c1cccnc1
InChIInChI=1S/C20H14F3N3O2/c21-16-7-6-15(17(22)18(16)23)20(28)26-14-5-1-3-12(9-14)10-25-19(27)13-4-2-8-24-11-13/h1-9,11H,10H2,(H,25,27)(H,26,28)
InChIKeyWXPCKGVDJWJFHU-UHFFFAOYSA-N
XLogP3.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-2,3,4-trifluorobenzamide
CID 108924063
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926549
3-[[(2,3,4-trifluorobenzoyl)amino]methyl]benzoic acid
CID 84761710
ethyl [4-[[3-[(pyridine-3-carbonylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108926226
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926559
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 108926408) is N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1cccc(NC(=O)c2ccc(F)c(F)c2F)c1)c1cccnc1.
What is the InChIKey of N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is WXPCKGVDJWJFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-16-7-6-15(17(22)18(16)23)20(28)26-14-5-1-3-12(9-14)10-25-19(27)13-4-2-8-24-11-13/h1-9,11H,10H2,(H,25,27)(H,26,28).
What are the key properties of N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).