3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide

C18H13N5O — CID 52937358

IUPAC3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide
SMILESN#Cc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C18H13N5O/c19-10-12-5-4-6-13(9-12)15-11-21-17(20)16(23-15)18(24)22-14-7-2-1-3-8-14/h1-9,11H,(H2,20,21)(H,22,24)
InChIKeyORIPNXJWUABDKM-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.85
Rot. Bonds3

About 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide

3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 52937358) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID52937358
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide
SMILESN#Cc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C18H13N5O/c19-10-12-5-4-6-13(9-12)15-11-21-17(20)16(23-15)18(24)22-14-7-2-1-3-8-14/h1-9,11H,(H2,20,21)(H,22,24)
InChIKeyORIPNXJWUABDKM-UHFFFAOYSA-N
XLogP2.85
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide (CID 52937358) is 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide is N#Cc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1.
What is the InChIKey of 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is ORIPNXJWUABDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c19-10-12-5-4-6-13(9-12)15-11-21-17(20)16(23-15)18(24)22-14-7-2-1-3-8-14/h1-9,11H,(H2,20,21)(H,22,24).
What are the key properties of 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).