N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide

C20H20F4N4O2 — CID 69399829

IUPACN-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCCN(C(=O)c3c(F)cccc3C(F)(F)F)C2)nc1
InChIInChI=1S/C20H20F4N4O2/c1-2-25-18(29)13-7-8-16(26-11-13)27-9-4-10-28(12-27)19(30)17-14(20(22,23)24)5-3-6-15(17)21/h3,5-8,11H,2,4,9-10,12H2,1H3,(H,25,29)
InChIKeyQEEHLAHQSUHHBX-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.30
Rot. Bonds4

About N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide

N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide (PubChem CID 69399829) has the molecular formula C20H20F4N4O2 and a molecular weight of 424.40 g/mol. Its IUPAC name is N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide
PubChem CID69399829
Molecular FormulaC20H20F4N4O2
Molecular Weight424.40 g/mol
Exact Mass424.15
IUPAC NameN-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCCN(C(=O)c3c(F)cccc3C(F)(F)F)C2)nc1
InChIInChI=1S/C20H20F4N4O2/c1-2-25-18(29)13-7-8-16(26-11-13)27-9-4-10-28(12-27)19(30)17-14(20(22,23)24)5-3-6-15(17)21/h3,5-8,11H,2,4,9-10,12H2,1H3,(H,25,29)
InChIKeyQEEHLAHQSUHHBX-UHFFFAOYSA-N
XLogP3.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399821
6-[3-[5-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 69400195
N-ethyl-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 69398781
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
N-benzyl-6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]pyridine-3-carboxamide
CID 69399658
6-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161705
N-propyl-6-[3-[2-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridine-3-carboxamide
CID 69399822
6-[3-[3-fluoro-2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]-N-propylpyridazine-3-carboxamide
CID 69399538
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50957600
N-pentyl-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68737275
N-ethyl-6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133314214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide (CID 69399829) is N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide is CCNC(=O)c1ccc(N2CCCN(C(=O)c3c(F)cccc3C(F)(F)F)C2)nc1.
What is the InChIKey of N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide?
The InChIKey is QEEHLAHQSUHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N4O2/c1-2-25-18(29)13-7-8-16(26-11-13)27-9-4-10-28(12-27)19(30)17-14(20(22,23)24)5-3-6-15(17)21/h3,5-8,11H,2,4,9-10,12H2,1H3,(H,25,29).
What are the key properties of N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide?
N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide has a molecular weight of 424.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 69399829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).