5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide

C16H23N5O3 — CID 129345384

IUPAC5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide
SMILESCN(C)c1cnc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)cn1
InChIInChI=1S/C16H23N5O3/c1-21(2)13-9-17-11(8-18-13)16(23)19-10-5-6-14(22)20-15(10)12-4-3-7-24-12/h8-10,12,15H,3-7H2,1-2H3,(H,19,23)(H,20,22)/t10-,12+,15+/m1/s1
InChIKeyOSVZURIPKKEMAX-GMXABZIVSA-N
MW333.39 g/mol
LogP0.10
Rot. Bonds4

About 5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide

5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 129345384) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID129345384
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide
SMILESCN(C)c1cnc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)cn1
InChIInChI=1S/C16H23N5O3/c1-21(2)13-9-17-11(8-18-13)16(23)19-10-5-6-14(22)20-15(10)12-4-3-7-24-12/h8-10,12,15H,3-7H2,1-2H3,(H,19,23)(H,20,22)/t10-,12+,15+/m1/s1
InChIKeyOSVZURIPKKEMAX-GMXABZIVSA-N
XLogP0.10
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide (CID 129345384) is 5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide is CN(C)c1cnc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)cn1.
What is the InChIKey of 5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is OSVZURIPKKEMAX-GMXABZIVSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-21(2)13-9-17-11(8-18-13)16(23)19-10-5-6-14(22)20-15(10)12-4-3-7-24-12/h8-10,12,15H,3-7H2,1-2H3,(H,19,23)(H,20,22)/t10-,12+,15+/m1/s1.
What are the key properties of 5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide?
5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(2S,3R)-6-oxo-2-[(2S)-oxolan-2-yl]piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 129345384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).