methyl 5-methoxy-N-phenylpyrazine-2-carboximidate

C13H13N3O2 — CID 155797385

IUPACmethyl 5-methoxy-N-phenylpyrazine-2-carboximidate
SMILESCO/C(=N\c1ccccc1)c1cnc(OC)cn1
InChIInChI=1S/C13H13N3O2/c1-17-12-9-14-11(8-15-12)13(18-2)16-10-6-4-3-5-7-10/h3-9H,1-2H3/b16-13-
InChIKeyFTXZCRLHHAKFTQ-SSZFMOIBSA-N
MW243.27 g/mol
LogP2.21
Rot. Bonds3

About methyl 5-methoxy-N-phenylpyrazine-2-carboximidate

methyl 5-methoxy-N-phenylpyrazine-2-carboximidate (PubChem CID 155797385) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is methyl 5-methoxy-N-phenylpyrazine-2-carboximidate.

Molecular Properties

Compound Namemethyl 5-methoxy-N-phenylpyrazine-2-carboximidate
PubChem CID155797385
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Namemethyl 5-methoxy-N-phenylpyrazine-2-carboximidate
SMILESCO/C(=N\c1ccccc1)c1cnc(OC)cn1
InChIInChI=1S/C13H13N3O2/c1-17-12-9-14-11(8-15-12)13(18-2)16-10-6-4-3-5-7-10/h3-9H,1-2H3/b16-13-
InChIKeyFTXZCRLHHAKFTQ-SSZFMOIBSA-N
XLogP2.21
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 5-methoxy-N-phenylpyrazine-2-carboximidate 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

5-methoxypyrazine-2-carboxylic acid;hydrochloride
CID 121268158
5-methoxypyrazine-2-carbonyl chloride
CID 119084220
methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577770
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxypyrazine-2-carboxamide
CID 162386970
methyl 2,2,2-trifluoro-N-phenylethanimidate
CID 58153195
[tert-butyl(diphenyl)silyl] N-phenylbenzenecarboximidate
CID 101150600
(Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide
CID 137182367
(6-methoxy-3-pyridinyl)-diphenylmethanol
CID 141319613
(S)-(6-methoxy-3-pyridinyl)-phenylmethanol
CID 101469582
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide
CID 104639579
1-benzyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 110954680

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-N-phenylpyrazine-2-carboximidate?
The IUPAC name of methyl 5-methoxy-N-phenylpyrazine-2-carboximidate (CID 155797385) is methyl 5-methoxy-N-phenylpyrazine-2-carboximidate.
What is the SMILES notation for methyl 5-methoxy-N-phenylpyrazine-2-carboximidate?
The canonical SMILES for methyl 5-methoxy-N-phenylpyrazine-2-carboximidate is CO/C(=N\c1ccccc1)c1cnc(OC)cn1.
What is the InChIKey of methyl 5-methoxy-N-phenylpyrazine-2-carboximidate?
The InChIKey is FTXZCRLHHAKFTQ-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-17-12-9-14-11(8-15-12)13(18-2)16-10-6-4-3-5-7-10/h3-9H,1-2H3/b16-13-.
What are the key properties of methyl 5-methoxy-N-phenylpyrazine-2-carboximidate?
methyl 5-methoxy-N-phenylpyrazine-2-carboximidate has a molecular weight of 243.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-N-phenylpyrazine-2-carboximidate is sourced from PubChem (CID 155797385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).