(2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide

C12H17N3O2 — CID 97309238

IUPAC(2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide
SMILESCC[C@@H]1C[C@H](C(=O)Nc2cnccn2)CCO1
InChIInChI=1S/C12H17N3O2/c1-2-10-7-9(3-6-17-10)12(16)15-11-8-13-4-5-14-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,15,16)/t9-,10-/m1/s1
InChIKeyJYLVWLFSDXHLGR-NXEZZACHSA-N
MW235.29 g/mol
LogP1.62
Rot. Bonds3

About (2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide

(2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide (PubChem CID 97309238) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide
PubChem CID97309238
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide
SMILESCC[C@@H]1C[C@H](C(=O)Nc2cnccn2)CCO1
InChIInChI=1S/C12H17N3O2/c1-2-10-7-9(3-6-17-10)12(16)15-11-8-13-4-5-14-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,15,16)/t9-,10-/m1/s1
InChIKeyJYLVWLFSDXHLGR-NXEZZACHSA-N
XLogP1.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrazin-2-ylpiperidine-4-carboxamide
CID 43616167
2-[(2S)-oxan-2-yl]-N-pyrazin-2-ylacetamide
CID 97309242
(3aR,6S,7aR)-4-cyclopropylsulfonyl-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 155879695
(2R,4R)-2-ethyl-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
CID 99782280
(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-N-pyrazin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 133142468
2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide
CID 136521957
N-pyrazin-2-ylpiperidine-3-carboxamide
CID 43616168
ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide
CID 143235359
(3aS,6R,7aS)-N-pyrazin-2-yl-4-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124781486
N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide
CID 75523798
1,1-dibutyl-3-pyrazin-2-ylurea
CID 108893837
1-[(6-ethyl-2-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)methyl]-N-pyrazin-2-ylpiperidine-4-carboxamide
CID 166189068

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide?
The IUPAC name of (2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide (CID 97309238) is (2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide.
What is the SMILES notation for (2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide?
The canonical SMILES for (2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide is CC[C@@H]1C[C@H](C(=O)Nc2cnccn2)CCO1.
What is the InChIKey of (2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide?
The InChIKey is JYLVWLFSDXHLGR-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-10-7-9(3-6-17-10)12(16)15-11-8-13-4-5-14-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,15,16)/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide?
(2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide is sourced from PubChem (CID 97309238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).