N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide

C13H13N3O — CID 897112

IUPACN-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cnccn2)cc1
InChIInChI=1S/C13H13N3O/c1-10-2-4-11(5-3-10)8-16-13(17)12-9-14-6-7-15-12/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyNVVMZNMAMDVIFQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.72
Rot. Bonds3

About N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide

N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 897112) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID897112
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cnccn2)cc1
InChIInChI=1S/C13H13N3O/c1-10-2-4-11(5-3-10)8-16-13(17)12-9-14-6-7-15-12/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyNVVMZNMAMDVIFQ-UHFFFAOYSA-N
XLogP1.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (CID 897112) is N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1ccc(CNC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is NVVMZNMAMDVIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-2-4-11(5-3-10)8-16-13(17)12-9-14-6-7-15-12/h2-7,9H,8H2,1H3,(H,16,17).
What are the key properties of N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 897112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).