N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide

C23H19F3N4O4 — CID 58968812

IUPACN'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
SMILESCNC(=O)c1cc(Oc2cccc(NC(=O)CC(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccn1
InChIInChI=1S/C23H19F3N4O4/c1-27-22(33)19-12-18(9-10-28-19)34-17-4-2-3-16(11-17)30-21(32)13-20(31)29-15-7-5-14(6-8-15)23(24,25)26/h2-12H,13H2,1H3,(H,27,33)(H,29,31)(H,30,32)
InChIKeyVFVJVBNTIPWZQW-UHFFFAOYSA-N
MW472.42 g/mol
LogP4.22
Rot. Bonds7

About N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide

N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide (PubChem CID 58968812) has the molecular formula C23H19F3N4O4 and a molecular weight of 472.42 g/mol. Its IUPAC name is N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
PubChem CID58968812
Molecular FormulaC23H19F3N4O4
Molecular Weight472.42 g/mol
Exact Mass472.14
IUPAC NameN'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
SMILESCNC(=O)c1cc(Oc2cccc(NC(=O)CC(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccn1
InChIInChI=1S/C23H19F3N4O4/c1-27-22(33)19-12-18(9-10-28-19)34-17-4-2-3-16(11-17)30-21(32)13-20(31)29-15-7-5-14(6-8-15)23(24,25)26/h2-12H,13H2,1H3,(H,27,33)(H,29,31)(H,30,32)
InChIKeyVFVJVBNTIPWZQW-UHFFFAOYSA-N
XLogP4.22
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487
N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11476310
N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide
CID 58968827
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
N-methyl-4-[3-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919866
N-methyl-4-[4-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 131953278
N-methyl-4-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide
CID 70682282
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417733
N-(2-hydroxyethyl)formamide;N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143211467
N-methyl-4-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11385670
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[3-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11306141

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide (CID 58968812) is N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide is CNC(=O)c1cc(Oc2cccc(NC(=O)CC(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccn1.
What is the InChIKey of N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is VFVJVBNTIPWZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O4/c1-27-22(33)19-12-18(9-10-28-19)34-17-4-2-3-16(11-17)30-21(32)13-20(31)29-15-7-5-14(6-8-15)23(24,25)26/h2-12H,13H2,1H3,(H,27,33)(H,29,31)(H,30,32).
What are the key properties of N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide?
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 472.42 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 58968812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).