N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide

C21H26N4O2 — CID 127929790

IUPACN-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
SMILESO=C(NC(Cc1ccccn1)c1ccccc1)N1CCN2CCOCC2C1
InChIInChI=1S/C21H26N4O2/c26-21(25-11-10-24-12-13-27-16-19(24)15-25)23-20(17-6-2-1-3-7-17)14-18-8-4-5-9-22-18/h1-9,19-20H,10-16H2,(H,23,26)
InChIKeyYQKXEJSXZHZEDH-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.09
Rot. Bonds4

About N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide

N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 127929790) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

Compound NameN-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID127929790
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC NameN-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
SMILESO=C(NC(Cc1ccccn1)c1ccccc1)N1CCN2CCOCC2C1
InChIInChI=1S/C21H26N4O2/c26-21(25-11-10-24-12-13-27-16-19(24)15-25)23-20(17-6-2-1-3-7-17)14-18-8-4-5-9-22-18/h1-9,19-20H,10-16H2,(H,23,26)
InChIKeyYQKXEJSXZHZEDH-UHFFFAOYSA-N
XLogP2.09
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The IUPAC name of N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide (CID 127929790) is N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide.
What is the SMILES notation for N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The canonical SMILES for N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide is O=C(NC(Cc1ccccn1)c1ccccc1)N1CCN2CCOCC2C1.
What is the InChIKey of N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The InChIKey is YQKXEJSXZHZEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(25-11-10-24-12-13-27-16-19(24)15-25)23-20(17-6-2-1-3-7-17)14-18-8-4-5-9-22-18/h1-9,19-20H,10-16H2,(H,23,26).
What are the key properties of N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 127929790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).