N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide

C13H22N4O2 — CID 47029889

IUPACN-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide
SMILESCOCCN(C)CCCNC(=O)c1cnc(C)cn1
InChIInChI=1S/C13H22N4O2/c1-11-9-16-12(10-15-11)13(18)14-5-4-6-17(2)7-8-19-3/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyACWZDFPENSAAEN-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.48
Rot. Bonds8

About N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide

N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide (PubChem CID 47029889) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide
PubChem CID47029889
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide
SMILESCOCCN(C)CCCNC(=O)c1cnc(C)cn1
InChIInChI=1S/C13H22N4O2/c1-11-9-16-12(10-15-11)13(18)14-5-4-6-17(2)7-8-19-3/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyACWZDFPENSAAEN-UHFFFAOYSA-N
XLogP0.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-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-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide (CID 47029889) is N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide is COCCN(C)CCCNC(=O)c1cnc(C)cn1.
What is the InChIKey of N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is ACWZDFPENSAAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11-9-16-12(10-15-11)13(18)14-5-4-6-17(2)7-8-19-3/h9-10H,4-8H2,1-3H3,(H,14,18).
What are the key properties of N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide?
N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 47029889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).