[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate

C20H17N3O3 — CID 7985625

IUPAC[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate
SMILESC[C@@H](OC(=O)c1cnccn1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H17N3O3/c1-14(26-20(25)18-13-21-11-12-22-18)19(24)23-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,24)/t14-/m1/s1
InChIKeySBLDLAMGPVCTIY-CQSZACIVSA-N
MW347.37 g/mol
LogP3.33
Rot. Bonds5

About [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate

[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate (PubChem CID 7985625) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate
PubChem CID7985625
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate
SMILESC[C@@H](OC(=O)c1cnccn1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H17N3O3/c1-14(26-20(25)18-13-21-11-12-22-18)19(24)23-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,24)/t14-/m1/s1
InChIKeySBLDLAMGPVCTIY-CQSZACIVSA-N
XLogP3.33
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-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

Related Compounds

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] quinoline-2-carboxylate
CID 7812711
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate
CID 2624833
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate
CID 7985439
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
CID 7980293
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate
CID 7841449
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate
CID 7859553
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 1H-indole-3-carboxylate
CID 7492966
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] pyrazine-2-carboxylate
CID 7985748
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] (E)-but-2-enoate
CID 7698882
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-methylquinoline-4-carboxylate
CID 7351467
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 2527908
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477385

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate (CID 7985625) is [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate is C[C@@H](OC(=O)c1cnccn1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate?
The InChIKey is SBLDLAMGPVCTIY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14(26-20(25)18-13-21-11-12-22-18)19(24)23-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate?
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate is sourced from PubChem (CID 7985625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).