N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide

C15H12F3N3O2 — CID 108934218

IUPACN-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1NC(=O)C(F)(F)F)c1ccccn1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)14(23)21-11-6-2-1-5-10(11)9-20-13(22)12-7-3-4-8-19-12/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeyKDGRRIOGJGHQFU-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.51
Rot. Bonds4

About N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide

N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 108934218) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
PubChem CID108934218
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC NameN-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1NC(=O)C(F)(F)F)c1ccccn1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)14(23)21-11-6-2-1-5-10(11)9-20-13(22)12-7-3-4-8-19-12/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeyKDGRRIOGJGHQFU-UHFFFAOYSA-N
XLogP2.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933986
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934234
3-hydroxy-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934226
3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934210
N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934266
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934154
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
CID 110444354
2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide
CID 88546712
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate
CID 102173247

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide (CID 108934218) is N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1ccccc1NC(=O)C(F)(F)F)c1ccccn1.
What is the InChIKey of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is KDGRRIOGJGHQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-15(17,18)14(23)21-11-6-2-1-5-10(11)9-20-13(22)12-7-3-4-8-19-12/h1-8H,9H2,(H,20,22)(H,21,23).
What are the key properties of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide?
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 323.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 108934218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).