methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate

C13H21N3O3 — CID 62927654

IUPACmethyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate
SMILESCCn1ccnc(NCCCCCC(=O)OC)c1=O
InChIInChI=1S/C13H21N3O3/c1-3-16-10-9-15-12(13(16)18)14-8-6-4-5-7-11(17)19-2/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyKHQCAAFEMKLTBZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.41
Rot. Bonds8

About methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate

methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate (PubChem CID 62927654) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate
PubChem CID62927654
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate
SMILESCCn1ccnc(NCCCCCC(=O)OC)c1=O
InChIInChI=1S/C13H21N3O3/c1-3-16-10-9-15-12(13(16)18)14-8-6-4-5-7-11(17)19-2/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyKHQCAAFEMKLTBZ-UHFFFAOYSA-N
XLogP1.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
6-[(3-oxo-4-propylpyrazin-2-yl)amino]hexanoic acid
CID 62938901
3-(3-ethoxypropylamino)-1-ethylpyrazin-2-one
CID 62940527
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 113327814
3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one
CID 114171621
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196
3-[(5-chloro-4-methylpentyl)amino]-1-ethylpyrazin-2-one
CID 106154553
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate
CID 62734562

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate?
The IUPAC name of methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate (CID 62927654) is methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate?
The canonical SMILES for methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate is CCn1ccnc(NCCCCCC(=O)OC)c1=O.
What is the InChIKey of methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate?
The InChIKey is KHQCAAFEMKLTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-16-10-9-15-12(13(16)18)14-8-6-4-5-7-11(17)19-2/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate?
methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate has a molecular weight of 267.33 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate is sourced from PubChem (CID 62927654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).