propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate

C17H17N3O3 — CID 57321121

IUPACpropan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate
SMILESCC(C)OC(=O)N1c2ncccc2NC(=O)[C@H]1c1ccccc1
InChIInChI=1S/C17H17N3O3/c1-11(2)23-17(22)20-14(12-7-4-3-5-8-12)16(21)19-13-9-6-10-18-15(13)20/h3-11,14H,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyUXYGGBNOJOHSTD-CQSZACIVSA-N
MW311.34 g/mol
LogP3.13
Rot. Bonds2

About propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate

propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate (PubChem CID 57321121) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate
PubChem CID57321121
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Namepropan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate
SMILESCC(C)OC(=O)N1c2ncccc2NC(=O)[C@H]1c1ccccc1
InChIInChI=1S/C17H17N3O3/c1-11(2)23-17(22)20-14(12-7-4-3-5-8-12)16(21)19-13-9-6-10-18-15(13)20/h3-11,14H,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyUXYGGBNOJOHSTD-CQSZACIVSA-N
XLogP3.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate?
The IUPAC name of propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate (CID 57321121) is propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate.
What is the SMILES notation for propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate?
The canonical SMILES for propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate is CC(C)OC(=O)N1c2ncccc2NC(=O)[C@H]1c1ccccc1.
What is the InChIKey of propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate?
The InChIKey is UXYGGBNOJOHSTD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11(2)23-17(22)20-14(12-7-4-3-5-8-12)16(21)19-13-9-6-10-18-15(13)20/h3-11,14H,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate?
propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate is sourced from PubChem (CID 57321121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).