[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate

C17H19N3O3 — CID 2431502

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cnccn1
InChIInChI=1S/C17H19N3O3/c1-13(2)20(11-14-6-4-3-5-7-14)16(21)12-23-17(22)15-10-18-8-9-19-15/h3-10,13H,11-12H2,1-2H3
InChIKeyRTFVCETVRSNTIP-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.07
Rot. Bonds6

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2431502) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2431502
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cnccn1
InChIInChI=1S/C17H19N3O3/c1-13(2)20(11-14-6-4-3-5-7-14)16(21)12-23-17(22)15-10-18-8-9-19-15/h3-10,13H,11-12H2,1-2H3
InChIKeyRTFVCETVRSNTIP-UHFFFAOYSA-N
XLogP2.07
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Acetamidoanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2378846
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2433674
[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] pyrazine-2-carboxylate
CID 5094684
(2-Benzamido-2-oxoethyl) pyrazine-2-carboxylate
CID 7702474
[2-(Benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2338042
[2-Oxo-2-(3-phenylpropylamino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2356441
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2365500
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2430490
[2-[Methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 7469205
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2338174
[2-(2,3-Dimethylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2338211
[2-[Benzyl(ethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2344671

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 2431502) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate is CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cnccn1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is RTFVCETVRSNTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-13(2)20(11-14-6-4-3-5-7-14)16(21)12-23-17(22)15-10-18-8-9-19-15/h3-10,13H,11-12H2,1-2H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2431502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).