N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide

C17H16N4O2 — CID 11645222

IUPACN-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(NCc3ccoc3)n2)c1
InChIInChI=1S/C17H16N4O2/c1-12(22)20-15-4-2-3-14(7-15)16-9-18-10-17(21-16)19-8-13-5-6-23-11-13/h2-7,9-11H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyNWZWUOACKDKPFB-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.31
Rot. Bonds5

About N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide

N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 11645222) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide
PubChem CID11645222
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(NCc3ccoc3)n2)c1
InChIInChI=1S/C17H16N4O2/c1-12(22)20-15-4-2-3-14(7-15)16-9-18-10-17(21-16)19-8-13-5-6-23-11-13/h2-7,9-11H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyNWZWUOACKDKPFB-UHFFFAOYSA-N
XLogP3.31
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide (CID 11645222) is N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(NCc3ccoc3)n2)c1.
What is the InChIKey of N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is NWZWUOACKDKPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12(22)20-15-4-2-3-14(7-15)16-9-18-10-17(21-16)19-8-13-5-6-23-11-13/h2-7,9-11H,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 308.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11645222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).