methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate

C12H17N3O4 — CID 43623251

IUPACmethyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H17N3O4/c1-19-11(17)5-3-2-4-6-13-12(18)9-7-15-10(16)8-14-9/h7-8H,2-6H2,1H3,(H,13,18)(H,15,16)
InChIKeyMRCROZYFDXPSAD-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.23
Rot. Bonds7

About methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate

methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate (PubChem CID 43623251) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate
PubChem CID43623251
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H17N3O4/c1-19-11(17)5-3-2-4-6-13-12(18)9-7-15-10(16)8-14-9/h7-8H,2-6H2,1H3,(H,13,18)(H,15,16)
InChIKeyMRCROZYFDXPSAD-UHFFFAOYSA-N
XLogP0.23
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate (CID 43623251) is methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate?
The InChIKey is MRCROZYFDXPSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-19-11(17)5-3-2-4-6-13-12(18)9-7-15-10(16)8-14-9/h7-8H,2-6H2,1H3,(H,13,18)(H,15,16).
What are the key properties of methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate?
methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate has a molecular weight of 267.28 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 43623251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).