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

C21H20F4N4O3 — CID 69399512

IUPAC6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-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=O)nc1
InChIInChI=1S/C21H20F4N4O3/c1-12(2)27-18(30)13-4-7-17(26-11-13)28-8-3-9-29(20(28)32)19(31)15-10-14(22)5-6-16(15)21(23,24)25/h4-7,10-12H,3,8-9H2,1-2H3,(H,27,30)
InChIKeyRVGVKZMLKMFUDY-UHFFFAOYSA-N
MW452.41 g/mol
LogP3.85
Rot. Bonds4

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

6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 69399512) has the molecular formula C21H20F4N4O3 and a molecular weight of 452.41 g/mol. Its IUPAC name is 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID69399512
Molecular FormulaC21H20F4N4O3
Molecular Weight452.41 g/mol
Exact Mass452.15
IUPAC Name6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-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=O)nc1
InChIInChI=1S/C21H20F4N4O3/c1-12(2)27-18(30)13-4-7-17(26-11-13)28-8-3-9-29(20(28)32)19(31)15-10-14(22)5-6-16(15)21(23,24)25/h4-7,10-12H,3,8-9H2,1-2H3,(H,27,30)
InChIKeyRVGVKZMLKMFUDY-UHFFFAOYSA-N
XLogP3.85
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 69400195
6-[3-[5-chloro-3-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-(2,4-dimethylpentyl)pyridine-3-carboxamide
CID 69398533
N-butyl-6-[3-[4-chloro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69397297
N-cyclopropyl-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 69398707
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
N-(2,4-difluorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162499
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
N-propan-2-yl-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide
CID 168923141
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 53187627
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 53014458
6-[(1S,5R)-3-[[2-(2-chloro-4-fluorophenoxy)-2-methylpropanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 66910457

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide (CID 69399512) is 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-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=O)nc1.
What is the InChIKey of 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RVGVKZMLKMFUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4O3/c1-12(2)27-18(30)13-4-7-17(26-11-13)28-8-3-9-29(20(28)32)19(31)15-10-14(22)5-6-16(15)21(23,24)25/h4-7,10-12H,3,8-9H2,1-2H3,(H,27,30).
What are the key properties of 6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 452.41 g/mol, XLogP of 3.85, 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]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 69399512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).