ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate

C16H18N4O3 — CID 15377951

IUPACethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)c1nccnc1N
InChIInChI=1S/C16H18N4O3/c1-2-23-13(21)11-20(10-12-6-4-3-5-7-12)16(22)14-15(17)19-9-8-18-14/h3-9H,2,10-11H2,1H3,(H2,17,19)
InChIKeyRILGQVYGQQTVFN-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.26
Rot. Bonds6

About ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate

ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate (PubChem CID 15377951) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate
PubChem CID15377951
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Nameethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)c1nccnc1N
InChIInChI=1S/C16H18N4O3/c1-2-23-13(21)11-20(10-12-6-4-3-5-7-12)16(22)14-15(17)19-9-8-18-14/h3-9H,2,10-11H2,1H3,(H2,17,19)
InChIKeyRILGQVYGQQTVFN-UHFFFAOYSA-N
XLogP1.26
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate?
The IUPAC name of ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate (CID 15377951) is ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate?
The canonical SMILES for ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)c1nccnc1N.
What is the InChIKey of ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate?
The InChIKey is RILGQVYGQQTVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-23-13(21)11-20(10-12-6-4-3-5-7-12)16(22)14-15(17)19-9-8-18-14/h3-9H,2,10-11H2,1H3,(H2,17,19).
What are the key properties of ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate?
ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate has a molecular weight of 314.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate is sourced from PubChem (CID 15377951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).