2-phenyl-N-pyrazin-2-ylbutanamide

C14H15N3O — CID 2970490

IUPAC2-phenyl-N-pyrazin-2-ylbutanamide
SMILESCCC(C(=O)Nc1cnccn1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-2-12(11-6-4-3-5-7-11)14(18)17-13-10-15-8-9-16-13/h3-10,12H,2H2,1H3,(H,16,17,18)
InChIKeyKPQAZGJNBJCNDV-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.61
Rot. Bonds4

About 2-phenyl-N-pyrazin-2-ylbutanamide

2-phenyl-N-pyrazin-2-ylbutanamide (PubChem CID 2970490) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-phenyl-N-pyrazin-2-ylbutanamide.

Molecular Properties

Compound Name2-phenyl-N-pyrazin-2-ylbutanamide
PubChem CID2970490
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-phenyl-N-pyrazin-2-ylbutanamide
SMILESCCC(C(=O)Nc1cnccn1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-2-12(11-6-4-3-5-7-11)14(18)17-13-10-15-8-9-16-13/h3-10,12H,2H2,1H3,(H,16,17,18)
InChIKeyKPQAZGJNBJCNDV-UHFFFAOYSA-N
XLogP2.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-pyrazin-2-ylbutanamide?
The IUPAC name of 2-phenyl-N-pyrazin-2-ylbutanamide (CID 2970490) is 2-phenyl-N-pyrazin-2-ylbutanamide.
What is the SMILES notation for 2-phenyl-N-pyrazin-2-ylbutanamide?
The canonical SMILES for 2-phenyl-N-pyrazin-2-ylbutanamide is CCC(C(=O)Nc1cnccn1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-pyrazin-2-ylbutanamide?
The InChIKey is KPQAZGJNBJCNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-12(11-6-4-3-5-7-11)14(18)17-13-10-15-8-9-16-13/h3-10,12H,2H2,1H3,(H,16,17,18).
What are the key properties of 2-phenyl-N-pyrazin-2-ylbutanamide?
2-phenyl-N-pyrazin-2-ylbutanamide has a molecular weight of 241.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-pyrazin-2-ylbutanamide is sourced from PubChem (CID 2970490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).