N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide

C14H18N6O3 — CID 164629306

IUPACN-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
SMILESCCc1nc(N2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)no1
InChIInChI=1S/C14H18N6O3/c1-2-12-18-14(19-23-12)20-6-3-9(11(21)8-20)17-13(22)10-7-15-4-5-16-10/h4-5,7,9,11,21H,2-3,6,8H2,1H3,(H,17,22)/t9-,11-/m0/s1
InChIKeyWHNHBORHNMTTFU-ONGXEEELSA-N
MW318.34 g/mol
LogP-0.21
Rot. Bonds4

About N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide

N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 164629306) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
PubChem CID164629306
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC NameN-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
SMILESCCc1nc(N2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)no1
InChIInChI=1S/C14H18N6O3/c1-2-12-18-14(19-23-12)20-6-3-9(11(21)8-20)17-13(22)10-7-15-4-5-16-10/h4-5,7,9,11,21H,2-3,6,8H2,1H3,(H,17,22)/t9-,11-/m0/s1
InChIKeyWHNHBORHNMTTFU-ONGXEEELSA-N
XLogP-0.21
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3R*,4R*)-3-hydroxy-1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70783063
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 56724144
N-[(3R*,4R*)-3-hydroxy-1-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylcarbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70752743
{3-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methoxy]piperidino}(2-pyrazinyl)methanone
CID 71686974
{3-[(3-Methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidino}(2-pyrazinyl)methanone
CID 87053220
5-Hydroxy-3-methyl-7-piperidin-4-yl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 66853213
N-(2-imidazol-1-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 166095172
N-(2-imidazol-1-yl-1-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 166095188
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;methanol;molecular hydrogen
CID 166481102
6-imidazol-1-yl-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 170774155
N-(1-acetylpiperidin-4-yl)-6-imidazol-1-ylpyrazine-2-carboxamide
CID 170774171
N-[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]pyrazine-2-carboxamide
CID 401956

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide (CID 164629306) is N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide is CCc1nc(N2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)no1.
What is the InChIKey of N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is WHNHBORHNMTTFU-ONGXEEELSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-2-12-18-14(19-23-12)20-6-3-9(11(21)8-20)17-13(22)10-7-15-4-5-16-10/h4-5,7,9,11,21H,2-3,6,8H2,1H3,(H,17,22)/t9-,11-/m0/s1.
What are the key properties of N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide?
N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 318.34 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 164629306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).