N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide

C13H22N4O2 — CID 146409993

IUPACN-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide
SMILESCC(C)CC(C)NC(=O)CNC(=O)C1C=NC=CN1
InChIInChI=1S/C13H22N4O2/c1-9(2)6-10(3)17-12(18)8-16-13(19)11-7-14-4-5-15-11/h4-5,7,9-11,15H,6,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyMLUPJXJDBBNLNS-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.17
Rot. Bonds6

About N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide

N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide (PubChem CID 146409993) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide
PubChem CID146409993
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide
SMILESCC(C)CC(C)NC(=O)CNC(=O)C1C=NC=CN1
InChIInChI=1S/C13H22N4O2/c1-9(2)6-10(3)17-12(18)8-16-13(19)11-7-14-4-5-15-11/h4-5,7,9-11,15H,6,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyMLUPJXJDBBNLNS-UHFFFAOYSA-N
XLogP0.17
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide (CID 146409993) is N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide is CC(C)CC(C)NC(=O)CNC(=O)C1C=NC=CN1.
What is the InChIKey of N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide?
The InChIKey is MLUPJXJDBBNLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)6-10(3)17-12(18)8-16-13(19)11-7-14-4-5-15-11/h4-5,7,9-11,15H,6,8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide?
N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide is sourced from PubChem (CID 146409993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).