[1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate

C16H17N3O3 — CID 18075955

IUPAC[1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OC(C)C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C16H17N3O3/c1-11-8-18-14(10-17-11)16(21)22-12(2)15(20)19-9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,19,20)
InChIKeyXDPSAMWWHURNBL-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.65
Rot. Bonds5

About [1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate

[1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate (PubChem CID 18075955) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is [1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
PubChem CID18075955
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name[1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OC(C)C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C16H17N3O3/c1-11-8-18-14(10-17-11)16(21)22-12(2)15(20)19-9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,19,20)
InChIKeyXDPSAMWWHURNBL-UHFFFAOYSA-N
XLogP1.65
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate 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 [1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate (CID 18075955) is [1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OC(C)C(=O)NCc2ccccc2)cn1.
What is the InChIKey of [1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
The InChIKey is XDPSAMWWHURNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-8-18-14(10-17-11)16(21)22-12(2)15(20)19-9-13-6-4-3-5-7-13/h3-8,10,12H,9H2,1-2H3,(H,19,20).
What are the key properties of [1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate?
[1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 18075955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).