N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide

C13H22N4O2 — CID 146086687

IUPACN-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide
SMILESCCn1ccnc(N(C)CC(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C13H22N4O2/c1-6-17-8-7-14-11(12(17)19)16(5)9-10(18)15-13(2,3)4/h7-8H,6,9H2,1-5H3,(H,15,18)
InChIKeyJWPDRAKRBGZVEA-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.61
Rot. Bonds4

About N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide

N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide (PubChem CID 146086687) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide
PubChem CID146086687
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide
SMILESCCn1ccnc(N(C)CC(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C13H22N4O2/c1-6-17-8-7-14-11(12(17)19)16(5)9-10(18)15-13(2,3)4/h7-8H,6,9H2,1-5H3,(H,15,18)
InChIKeyJWPDRAKRBGZVEA-UHFFFAOYSA-N
XLogP0.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide (CID 146086687) is N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide is CCn1ccnc(N(C)CC(=O)NC(C)(C)C)c1=O.
What is the InChIKey of N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide?
The InChIKey is JWPDRAKRBGZVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-6-17-8-7-14-11(12(17)19)16(5)9-10(18)15-13(2,3)4/h7-8H,6,9H2,1-5H3,(H,15,18).
What are the key properties of N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide?
N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide is sourced from PubChem (CID 146086687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).