N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

C22H18F3N3O3 — CID 86875216

IUPACN-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(COc1ccccc1C(F)(F)F)NCc1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C22H18F3N3O3/c23-22(24,25)18-3-1-2-4-19(18)31-14-20(29)27-13-15-5-7-17(8-6-15)28-21(30)16-9-11-26-12-10-16/h1-12H,13-14H2,(H,27,29)(H,28,30)
InChIKeyPWKYBLARXMWWIT-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.05
Rot. Bonds7

About N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 86875216) has the molecular formula C22H18F3N3O3 and a molecular weight of 429.40 g/mol. Its IUPAC name is N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID86875216
Molecular FormulaC22H18F3N3O3
Molecular Weight429.40 g/mol
Exact Mass429.13
IUPAC NameN-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(COc1ccccc1C(F)(F)F)NCc1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C22H18F3N3O3/c23-22(24,25)18-3-1-2-4-19(18)31-14-20(29)27-13-15-5-7-17(8-6-15)28-21(30)16-9-11-26-12-10-16/h1-12H,13-14H2,(H,27,29)(H,28,30)
InChIKeyPWKYBLARXMWWIT-UHFFFAOYSA-N
XLogP4.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903588
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620662
N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 46686486
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459
N-[4-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78833691
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 86875216) is N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is O=C(COc1ccccc1C(F)(F)F)NCc1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is PWKYBLARXMWWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3/c23-22(24,25)18-3-1-2-4-19(18)31-14-20(29)27-13-15-5-7-17(8-6-15)28-21(30)16-9-11-26-12-10-16/h1-12H,13-14H2,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 429.40 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 86875216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).