[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C14H21N3O3 — CID 2401655

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)N(C(C)C)C(C)C)cn1
InChIInChI=1S/C14H21N3O3/c1-9(2)17(10(3)4)13(18)8-20-14(19)12-7-15-11(5)6-16-12/h6-7,9-10H,8H2,1-5H3
InChIKeyHLQLDONOCNWBAF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.59
Rot. Bonds5

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2401655) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2401655
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)N(C(C)C)C(C)C)cn1
InChIInChI=1S/C14H21N3O3/c1-9(2)17(10(3)4)13(18)8-20-14(19)12-7-15-11(5)6-16-12/h6-7,9-10H,8H2,1-5H3
InChIKeyHLQLDONOCNWBAF-UHFFFAOYSA-N
XLogP1.59
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2401655) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)N(C(C)C)C(C)C)cn1.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is HLQLDONOCNWBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)17(10(3)4)13(18)8-20-14(19)12-7-15-11(5)6-16-12/h6-7,9-10H,8H2,1-5H3.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2401655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).