N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide

C13H10N4O — CID 50983123

IUPACN-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2C#N)c1
InChIInChI=1S/C13H10N4O/c1-9(18)17-11-4-2-3-10(7-11)13-12(8-14)15-5-6-16-13/h2-7H,1H3,(H,17,18)
InChIKeySSPZKAMFDXEHSX-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.97
Rot. Bonds2

About N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide

N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide (PubChem CID 50983123) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide
PubChem CID50983123
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2C#N)c1
InChIInChI=1S/C13H10N4O/c1-9(18)17-11-4-2-3-10(7-11)13-12(8-14)15-5-6-16-13/h2-7H,1H3,(H,17,18)
InChIKeySSPZKAMFDXEHSX-UHFFFAOYSA-N
XLogP1.97
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide (CID 50983123) is N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2nccnc2C#N)c1.
What is the InChIKey of N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide?
The InChIKey is SSPZKAMFDXEHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-9(18)17-11-4-2-3-10(7-11)13-12(8-14)15-5-6-16-13/h2-7H,1H3,(H,17,18).
What are the key properties of N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide?
N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide has a molecular weight of 238.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 50983123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).