N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C21H20F3N5O4 — CID 24782697

IUPACN-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1nn(-c2ccccc2)cc1C(=O)NCCNC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C21H20F3N5O4/c1-32-20-16(12-29(28-20)15-5-3-2-4-6-15)19(31)26-10-9-25-18(30)14-7-8-17(27-11-14)33-13-21(22,23)24/h2-8,11-12H,9-10,13H2,1H3,(H,25,30)(H,26,31)
InChIKeyWLKRJIGYGPALPI-UHFFFAOYSA-N
MW463.42 g/mol
LogP2.38
Rot. Bonds9

About N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 24782697) has the molecular formula C21H20F3N5O4 and a molecular weight of 463.42 g/mol. Its IUPAC name is N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID24782697
Molecular FormulaC21H20F3N5O4
Molecular Weight463.42 g/mol
Exact Mass463.15
IUPAC NameN-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1nn(-c2ccccc2)cc1C(=O)NCCNC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C21H20F3N5O4/c1-32-20-16(12-29(28-20)15-5-3-2-4-6-15)19(31)26-10-9-25-18(30)14-7-8-17(27-11-14)33-13-21(22,23)24/h2-8,11-12H,9-10,13H2,1H3,(H,25,30)(H,26,31)
InChIKeyWLKRJIGYGPALPI-UHFFFAOYSA-N
XLogP2.38
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-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

2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 1478065
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide
CID 8897416
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
N-(2-(((1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46865791
1-(4-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884919
1-(3-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884949
6-Ethoxy-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-3-carboxamide
CID 46885191
6-Butoxy-N-(2,4-difluorophenyl)nicotinamide
CID 58368196
2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 2468311
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31959558
1-methyl-4-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44439467

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 24782697) is N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is COc1nn(-c2ccccc2)cc1C(=O)NCCNC(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is WLKRJIGYGPALPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O4/c1-32-20-16(12-29(28-20)15-5-3-2-4-6-15)19(31)26-10-9-25-18(30)14-7-8-17(27-11-14)33-13-21(22,23)24/h2-8,11-12H,9-10,13H2,1H3,(H,25,30)(H,26,31).
What are the key properties of N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxy-1-phenylpyrazole-4-carbonyl)amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 24782697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).