N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide

C22H17F3N4O4 — CID 11213278

IUPACN-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)NNC(=O)c3ccccc3C(F)(F)F)c2)ccn1
InChIInChI=1S/C22H17F3N4O4/c1-26-21(32)18-12-15(9-10-27-18)33-14-6-4-5-13(11-14)19(30)28-29-20(31)16-7-2-3-8-17(16)22(23,24)25/h2-12H,1H3,(H,26,32)(H,28,30)(H,29,31)
InChIKeyZLHDXKAYWMHZCV-UHFFFAOYSA-N
MW458.40 g/mol
LogP3.33
Rot. Bonds5

About N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide

N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide (PubChem CID 11213278) has the molecular formula C22H17F3N4O4 and a molecular weight of 458.40 g/mol. Its IUPAC name is N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
PubChem CID11213278
Molecular FormulaC22H17F3N4O4
Molecular Weight458.40 g/mol
Exact Mass458.12
IUPAC NameN-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)NNC(=O)c3ccccc3C(F)(F)F)c2)ccn1
InChIInChI=1S/C22H17F3N4O4/c1-26-21(32)18-12-15(9-10-27-18)33-14-6-4-5-13(11-14)19(30)28-29-20(31)16-7-2-3-8-17(16)22(23,24)25/h2-12H,1H3,(H,26,32)(H,28,30)(H,29,31)
InChIKeyZLHDXKAYWMHZCV-UHFFFAOYSA-N
XLogP3.33
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[3-[[[3-(trifluoromethoxy)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248488
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348
N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide
CID 141370066
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566581
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
CID 27662248
N-methyl-4-[3-[2-[[3-(trifluoromethoxy)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050892
4-[4-[[(3,4-dimethylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11212255
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487
4-[3-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11306141
N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11476310
4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 143062062
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide (CID 11213278) is N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(C(=O)NNC(=O)c3ccccc3C(F)(F)F)c2)ccn1.
What is the InChIKey of N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is ZLHDXKAYWMHZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O4/c1-26-21(32)18-12-15(9-10-27-18)33-14-6-4-5-13(11-14)19(30)28-29-20(31)16-7-2-3-8-17(16)22(23,24)25/h2-12H,1H3,(H,26,32)(H,28,30)(H,29,31).
What are the key properties of N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 458.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 11213278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).