5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide

C15H17N3O — CID 47161122

IUPAC5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C15H17N3O/c1-10-4-6-13(7-5-10)12(3)18-15(19)14-9-16-11(2)8-17-14/h4-9,12H,1-3H3,(H,18,19)
InChIKeyMZGVVMSLSBIQJT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.58
Rot. Bonds3

About 5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide

5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 47161122) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID47161122
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C15H17N3O/c1-10-4-6-13(7-5-10)12(3)18-15(19)14-9-16-11(2)8-17-14/h4-9,12H,1-3H3,(H,18,19)
InChIKeyMZGVVMSLSBIQJT-UHFFFAOYSA-N
XLogP2.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide (CID 47161122) is 5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide is Cc1ccc(C(C)NC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of 5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is MZGVVMSLSBIQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-4-6-13(7-5-10)12(3)18-15(19)14-9-16-11(2)8-17-14/h4-9,12H,1-3H3,(H,18,19).
What are the key properties of 5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide?
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47161122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).