methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate

C17H13N3O2 — CID 175789553

IUPACmethyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccccc2)nc1-c1ccccn1
InChIInChI=1S/C17H13N3O2/c1-22-17(21)16-15(13-9-5-6-10-18-13)20-14(11-19-16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyQYCWLXQGPPWMSY-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.99
Rot. Bonds3

About methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate

methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate (PubChem CID 175789553) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate
PubChem CID175789553
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Namemethyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccccc2)nc1-c1ccccn1
InChIInChI=1S/C17H13N3O2/c1-22-17(21)16-15(13-9-5-6-10-18-13)20-14(11-19-16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyQYCWLXQGPPWMSY-UHFFFAOYSA-N
XLogP2.99
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-phenyl-3-pyridin-2-ylpyrazine-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

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate?
The IUPAC name of methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate (CID 175789553) is methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate?
The canonical SMILES for methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate is COC(=O)c1ncc(-c2ccccc2)nc1-c1ccccn1.
What is the InChIKey of methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate?
The InChIKey is QYCWLXQGPPWMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-17(21)16-15(13-9-5-6-10-18-13)20-14(11-19-16)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate?
methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate is sourced from PubChem (CID 175789553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).