N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide

C15H16N4O2 — CID 4785773

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1cnccn1
InChIInChI=1S/C15H16N4O2/c1-10-4-3-5-11(2)14(10)19-13(20)9-18-15(21)12-8-16-6-7-17-12/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZUNZZJLLMWXIBW-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.46
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 4785773) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID4785773
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1cnccn1
InChIInChI=1S/C15H16N4O2/c1-10-4-3-5-11(2)14(10)19-13(20)9-18-15(21)12-8-16-6-7-17-12/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZUNZZJLLMWXIBW-UHFFFAOYSA-N
XLogP1.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide (CID 4785773) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1cnccn1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is ZUNZZJLLMWXIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-4-3-5-11(2)14(10)19-13(20)9-18-15(21)12-8-16-6-7-17-12/h3-8H,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4785773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).