6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide

C21H22F4N4O2 — CID 69400195

IUPAC6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCCN(C(=O)c3cc(F)ccc3C(F)(F)F)C2)nc1
InChIInChI=1S/C21H22F4N4O2/c1-13(2)27-19(30)14-4-7-18(26-11-14)28-8-3-9-29(12-28)20(31)16-10-15(22)5-6-17(16)21(23,24)25/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,27,30)
InChIKeyYSBWBGLUIJUKKH-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.69
Rot. Bonds4

About 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide

6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 69400195) has the molecular formula C21H22F4N4O2 and a molecular weight of 438.43 g/mol. Its IUPAC name is 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID69400195
Molecular FormulaC21H22F4N4O2
Molecular Weight438.43 g/mol
Exact Mass438.17
IUPAC Name6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCCN(C(=O)c3cc(F)ccc3C(F)(F)F)C2)nc1
InChIInChI=1S/C21H22F4N4O2/c1-13(2)27-19(30)14-4-7-18(26-11-14)28-8-3-9-29(12-28)20(31)16-10-15(22)5-6-17(16)21(23,24)25/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,27,30)
InChIKeyYSBWBGLUIJUKKH-UHFFFAOYSA-N
XLogP3.69
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-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

6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 69399512
N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399821
N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399829
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide
CID 69399827
N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 143445194
(2-chloro-4-fluorophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 46628408
4-chloro-N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propan-2-yl]benzamide
CID 31615982
N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399658
N-propan-2-yl-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide
CID 168923141
[5-fluoro-2-(trifluoromethyl)phenyl]-[4-(1,2,4-triazin-3-yl)piperazin-1-yl]methanone
CID 53493507
N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 69398781

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide (CID 69400195) is 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1ccc(N2CCCN(C(=O)c3cc(F)ccc3C(F)(F)F)C2)nc1.
What is the InChIKey of 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is YSBWBGLUIJUKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N4O2/c1-13(2)27-19(30)14-4-7-18(26-11-14)28-8-3-9-29(12-28)20(31)16-10-15(22)5-6-17(16)21(23,24)25/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,27,30).
What are the key properties of 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 438.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 69400195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).