N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid

C21H28F3N5O4 — CID 44628365

IUPACN-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(C(=O)N1CCC(c2nc(-c3ncccc3C)no2)CC1)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N5O2.C2HF3O2/c1-5-24(13(2)3)19(25)23-11-8-15(9-12-23)18-21-17(22-26-18)16-14(4)7-6-10-20-16;3-2(4,5)1(6)7/h6-7,10,13,15H,5,8-9,11-12H2,1-4H3;(H,6,7)
InChIKeyASBKVWAVAKTLIX-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.10
Rot. Bonds4

About N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid

N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44628365) has the molecular formula C21H28F3N5O4 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44628365
Molecular FormulaC21H28F3N5O4
Molecular Weight471.48 g/mol
Exact Mass471.21
IUPAC NameN-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(C(=O)N1CCC(c2nc(-c3ncccc3C)no2)CC1)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N5O2.C2HF3O2/c1-5-24(13(2)3)19(25)23-11-8-15(9-12-23)18-21-17(22-26-18)16-14(4)7-6-10-20-16;3-2(4,5)1(6)7/h6-7,10,13,15H,5,8-9,11-12H2,1-4H3;(H,6,7)
InChIKeyASBKVWAVAKTLIX-UHFFFAOYSA-N
XLogP4.10
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 45204533
N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 44629230
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250
(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841
4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221
1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 154833761
3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503538
3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870833
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760385
2-cyclopentyl-1-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92577668
6-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
CID 166252671

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 44628365) is N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid is CCN(C(=O)N1CCC(c2nc(-c3ncccc3C)no2)CC1)C(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ASBKVWAVAKTLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.C2HF3O2/c1-5-24(13(2)3)19(25)23-11-8-15(9-12-23)18-21-17(22-26-18)16-14(4)7-6-10-20-16;3-2(4,5)1(6)7/h6-7,10,13,15H,5,8-9,11-12H2,1-4H3;(H,6,7).
What are the key properties of N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 471.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44628365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).