ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate

C11H14ClN3O3 — CID 103186993

IUPACethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O3/c1-2-18-10(16)4-3-5-14-11(17)8-6-13-7-9(12)15-8/h6-7H,2-5H2,1H3,(H,14,17)
InChIKeyDQGKSAVCYSPIJB-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.20
Rot. Bonds6

About ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate

ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate (PubChem CID 103186993) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
PubChem CID103186993
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Nameethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O3/c1-2-18-10(16)4-3-5-14-11(17)8-6-13-7-9(12)15-8/h6-7H,2-5H2,1H3,(H,14,17)
InChIKeyDQGKSAVCYSPIJB-UHFFFAOYSA-N
XLogP1.20
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-ethoxypyrazine-2-carboxamide
CID 103186905
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
CID 60788161
ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate
CID 115694518
6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 106551326
6-chloro-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 103187109
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829
6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 103186748
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
ethyl 4-[(2,5-dichlorobenzoyl)amino]butanoate
CID 60637290
ethyl 4-[(3-chloro-5-methylbenzoyl)amino]butanoate
CID 80980209
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate
CID 103604563

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate (CID 103186993) is ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1cncc(Cl)n1.
What is the InChIKey of ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate?
The InChIKey is DQGKSAVCYSPIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-2-18-10(16)4-3-5-14-11(17)8-6-13-7-9(12)15-8/h6-7H,2-5H2,1H3,(H,14,17).
What are the key properties of ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate?
ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate has a molecular weight of 271.70 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate is sourced from PubChem (CID 103186993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).