N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide

C21H18F3N5O3 — CID 11476310

IUPACN-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(NNC(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccn1
InChIInChI=1S/C21H18F3N5O3/c1-25-19(30)18-12-17(9-10-26-18)32-16-4-2-3-15(11-16)28-29-20(31)27-14-7-5-13(6-8-14)21(22,23)24/h2-12,28H,1H3,(H,25,30)(H2,27,29,31)
InChIKeyDIKLVHZOWLJECF-UHFFFAOYSA-N
MW445.40 g/mol
LogP4.40
Rot. Bonds6

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

N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide (PubChem CID 11476310) has the molecular formula C21H18F3N5O3 and a molecular weight of 445.40 g/mol. Its IUPAC name is N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
PubChem CID11476310
Molecular FormulaC21H18F3N5O3
Molecular Weight445.40 g/mol
Exact Mass445.14
IUPAC NameN-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(NNC(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccn1
InChIInChI=1S/C21H18F3N5O3/c1-25-19(30)18-12-17(9-10-26-18)32-16-4-2-3-15(11-16)28-29-20(31)27-14-7-5-13(6-8-14)21(22,23)24/h2-12,28H,1H3,(H,25,30)(H2,27,29,31)
InChIKeyDIKLVHZOWLJECF-UHFFFAOYSA-N
XLogP4.40
TPSA104.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11385670
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'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 58968812
4-[3-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11327580
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
N-methyl-4-[4-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 131953278
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417733
N-methyl-4-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143505922
4-[4-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919812
4-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743676
N-methyl-4-[3-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919866

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide (CID 11476310) is N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(NNC(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccn1.
What is the InChIKey of N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is DIKLVHZOWLJECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3/c1-25-19(30)18-12-17(9-10-26-18)32-16-4-2-3-15(11-16)28-29-20(31)27-14-7-5-13(6-8-14)21(22,23)24/h2-12,28H,1H3,(H,25,30)(H2,27,29,31).
What are the key properties of N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 445.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 11476310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).