N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide

C18H23N3O — CID 154842733

IUPACN-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide
SMILESCc1ccccc1C(NC(=O)c1nccnc1C)C(C)(C)C
InChIInChI=1S/C18H23N3O/c1-12-8-6-7-9-14(12)16(18(3,4)5)21-17(22)15-13(2)19-10-11-20-15/h6-11,16H,1-5H3,(H,21,22)
InChIKeyXQLYICSPYUBXPY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.61
Rot. Bonds3

About N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide

N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide (PubChem CID 154842733) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide
PubChem CID154842733
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide
SMILESCc1ccccc1C(NC(=O)c1nccnc1C)C(C)(C)C
InChIInChI=1S/C18H23N3O/c1-12-8-6-7-9-14(12)16(18(3,4)5)21-17(22)15-13(2)19-10-11-20-15/h6-11,16H,1-5H3,(H,21,22)
InChIKeyXQLYICSPYUBXPY-UHFFFAOYSA-N
XLogP3.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide?
The IUPAC name of N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide (CID 154842733) is N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide is Cc1ccccc1C(NC(=O)c1nccnc1C)C(C)(C)C.
What is the InChIKey of N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide?
The InChIKey is XQLYICSPYUBXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-8-6-7-9-14(12)16(18(3,4)5)21-17(22)15-13(2)19-10-11-20-15/h6-11,16H,1-5H3,(H,21,22).
What are the key properties of N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide?
N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 154842733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).