3-(methylamino)-6-phenylpyrazine-2-carboxamide

C12H12N4O — CID 10353723

IUPAC3-(methylamino)-6-phenylpyrazine-2-carboxamide
SMILESCNc1ncc(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C12H12N4O/c1-14-12-10(11(13)17)16-9(7-15-12)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,14,15)
InChIKeyMFSZLTMKTMMFRK-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.28
Rot. Bonds3

About 3-(methylamino)-6-phenylpyrazine-2-carboxamide

3-(methylamino)-6-phenylpyrazine-2-carboxamide (PubChem CID 10353723) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-(methylamino)-6-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-6-phenylpyrazine-2-carboxamide
PubChem CID10353723
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name3-(methylamino)-6-phenylpyrazine-2-carboxamide
SMILESCNc1ncc(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C12H12N4O/c1-14-12-10(11(13)17)16-9(7-15-12)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,14,15)
InChIKeyMFSZLTMKTMMFRK-UHFFFAOYSA-N
XLogP1.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-(methylamino)-6-phenylpyrazine-2-carboxamide (CID 10353723) is 3-(methylamino)-6-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-(methylamino)-6-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-(methylamino)-6-phenylpyrazine-2-carboxamide is CNc1ncc(-c2ccccc2)nc1C(N)=O.
What is the InChIKey of 3-(methylamino)-6-phenylpyrazine-2-carboxamide?
The InChIKey is MFSZLTMKTMMFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-14-12-10(11(13)17)16-9(7-15-12)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,14,15).
What are the key properties of 3-(methylamino)-6-phenylpyrazine-2-carboxamide?
3-(methylamino)-6-phenylpyrazine-2-carboxamide has a molecular weight of 228.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 10353723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).