[2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C13H17N3O3 — CID 4137428

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NC2CCCC2)cn1
InChIInChI=1S/C13H17N3O3/c1-9-6-15-11(7-14-9)13(18)19-8-12(17)16-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,16,17)
InChIKeyGMWHSFISUXDQNH-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.00
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 4137428) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID4137428
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NC2CCCC2)cn1
InChIInChI=1S/C13H17N3O3/c1-9-6-15-11(7-14-9)13(18)19-8-12(17)16-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,16,17)
InChIKeyGMWHSFISUXDQNH-UHFFFAOYSA-N
XLogP1.00
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2634417
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2693229
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7112597
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634261
[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524473
bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 2999823
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 6915447
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2693222
[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768674
[2-(2,6-diethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2338086
(2-benzamido-2-oxoethyl) 5-methylpyrazine-2-carboxylate
CID 7950061
[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 2458017

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 4137428) is [2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)NC2CCCC2)cn1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is GMWHSFISUXDQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-6-15-11(7-14-9)13(18)19-8-12(17)16-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,16,17).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 4137428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).