N-(4-butylphenyl)pyrazine-2-carboxamide

C15H17N3O — CID 2852872

IUPACN-(4-butylphenyl)pyrazine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H17N3O/c1-2-3-4-12-5-7-13(8-6-12)18-15(19)14-11-16-9-10-17-14/h5-11H,2-4H2,1H3,(H,18,19)
InChIKeyXOHRMLKRVJSVIE-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.07
Rot. Bonds5

About N-(4-butylphenyl)pyrazine-2-carboxamide

N-(4-butylphenyl)pyrazine-2-carboxamide (PubChem CID 2852872) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(4-butylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)pyrazine-2-carboxamide
PubChem CID2852872
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(4-butylphenyl)pyrazine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H17N3O/c1-2-3-4-12-5-7-13(8-6-12)18-15(19)14-11-16-9-10-17-14/h5-11H,2-4H2,1H3,(H,18,19)
InChIKeyXOHRMLKRVJSVIE-UHFFFAOYSA-N
XLogP3.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)pyrazine-2-carboxamide (CID 2852872) is N-(4-butylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)pyrazine-2-carboxamide is CCCCc1ccc(NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-(4-butylphenyl)pyrazine-2-carboxamide?
The InChIKey is XOHRMLKRVJSVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-3-4-12-5-7-13(8-6-12)18-15(19)14-11-16-9-10-17-14/h5-11H,2-4H2,1H3,(H,18,19).
What are the key properties of N-(4-butylphenyl)pyrazine-2-carboxamide?
N-(4-butylphenyl)pyrazine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 2852872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).