methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate

C16H19N3O2 — CID 66455911

IUPACmethyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC(C)(C)c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-16(2,12-7-5-4-6-8-12)11-18-14-10-17-9-13(19-14)15(20)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyRSQQFTNNXYOOHF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.65
Rot. Bonds5

About methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate

methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate (PubChem CID 66455911) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate
PubChem CID66455911
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC(C)(C)c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-16(2,12-7-5-4-6-8-12)11-18-14-10-17-9-13(19-14)15(20)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyRSQQFTNNXYOOHF-UHFFFAOYSA-N
XLogP2.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Oxo-2-(2-phenylethylamino)ethyl] 5-methylpyrazine-2-carboxylate
CID 2355564
methyl 2-oxo-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazine-5-carboxylate
CID 24815753
Sodium 3-[benzyl(methyl)amino]pyrazine-2-carboxylate
CID 168282886
Sodium 3-(benzylamino)pyrazine-2-carboxylate
CID 168283344
Methyl 3-amino-5-benzoyl-2-pyrazinecarboxylate
CID 15743925
Methyl 3-amino-6-phenylpyrazine-2-carboxylate
CID 12841581
Methyl 3-anilinopyrazine-2-carboxylate
CID 13370930
Methyl 2-benzyl-1H-imidazole-4-carboxylate
CID 62252847
3-Amino-6-(4-fluorophenyl)-pyrazine-2-carboxylic acid methyl ester
CID 57428014
Methyl 3-(4-fluorobenzamido)pyrazine-2-carboxylate
CID 57661636
Methyl 5-[4-[(2-fluorophenyl)methylcarbamoyl]-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate
CID 59690111
Methyl 5-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-3-propan-2-ylpiperazin-1-yl]pyrazine-2-carboxylate
CID 59690202

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate (CID 66455911) is methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCC(C)(C)c2ccccc2)n1.
What is the InChIKey of methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate?
The InChIKey is RSQQFTNNXYOOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,12-7-5-4-6-8-12)11-18-14-10-17-9-13(19-14)15(20)21-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate?
methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66455911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).