5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide

C18H22N4O2 — CID 25163734

IUPAC5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C18H22N4O2/c1-4-9-22(18(24)16-11-19-14(3)10-20-16)12-17(23)21-15-8-6-5-7-13(15)2/h5-8,10-11H,4,9,12H2,1-3H3,(H,21,23)
InChIKeyRCYVDXLANJAYGD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.58
Rot. Bonds6

About 5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide

5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide (PubChem CID 25163734) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide
PubChem CID25163734
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cnc(C)cn1
InChIInChI=1S/C18H22N4O2/c1-4-9-22(18(24)16-11-19-14(3)10-20-16)12-17(23)21-15-8-6-5-7-13(15)2/h5-8,10-11H,4,9,12H2,1-3H3,(H,21,23)
InChIKeyRCYVDXLANJAYGD-UHFFFAOYSA-N
XLogP2.58
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide (CID 25163734) is 5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cnc(C)cn1.
What is the InChIKey of 5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide?
The InChIKey is RCYVDXLANJAYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-9-22(18(24)16-11-19-14(3)10-20-16)12-17(23)21-15-8-6-5-7-13(15)2/h5-8,10-11H,4,9,12H2,1-3H3,(H,21,23).
What are the key properties of 5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide?
5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 25163734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).