N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine

C18H26N6O — CID 46230027

IUPACN-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
SMILESCOCCNc1ncc(-c2ccncc2)nc1N1CCCN(C)CC1
InChIInChI=1S/C18H26N6O/c1-23-9-3-10-24(12-11-23)18-17(20-8-13-25-2)21-14-16(22-18)15-4-6-19-7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,20,21)
InChIKeyAKJIQQSUVUVADO-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.74
Rot. Bonds6

About N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine

N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine (PubChem CID 46230027) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
PubChem CID46230027
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
SMILESCOCCNc1ncc(-c2ccncc2)nc1N1CCCN(C)CC1
InChIInChI=1S/C18H26N6O/c1-23-9-3-10-24(12-11-23)18-17(20-8-13-25-2)21-14-16(22-18)15-4-6-19-7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,20,21)
InChIKeyAKJIQQSUVUVADO-UHFFFAOYSA-N
XLogP1.74
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine 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-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine (CID 46230027) is N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine is COCCNc1ncc(-c2ccncc2)nc1N1CCCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
The InChIKey is AKJIQQSUVUVADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-23-9-3-10-24(12-11-23)18-17(20-8-13-25-2)21-14-16(22-18)15-4-6-19-7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,20,21).
What are the key properties of N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine?
N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine has a molecular weight of 342.45 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine is sourced from PubChem (CID 46230027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).