N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide

C9H12N4O2 — CID 47112752

IUPACN-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCNC(=O)CN(C)C(=O)c1cnccn1
InChIInChI=1S/C9H12N4O2/c1-10-8(14)6-13(2)9(15)7-5-11-3-4-12-7/h3-5H,6H2,1-2H3,(H,10,14)
InChIKeyUXKRFUVUUSRPNM-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.71
Rot. Bonds3

About N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide

N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 47112752) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID47112752
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCNC(=O)CN(C)C(=O)c1cnccn1
InChIInChI=1S/C9H12N4O2/c1-10-8(14)6-13(2)9(15)7-5-11-3-4-12-7/h3-5H,6H2,1-2H3,(H,10,14)
InChIKeyUXKRFUVUUSRPNM-UHFFFAOYSA-N
XLogP-0.71
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide (CID 47112752) is N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide is CNC(=O)CN(C)C(=O)c1cnccn1.
What is the InChIKey of N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is UXKRFUVUUSRPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-10-8(14)6-13(2)9(15)7-5-11-3-4-12-7/h3-5H,6H2,1-2H3,(H,10,14).
What are the key properties of N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide?
N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47112752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).