5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide

C15H24N4O2 — CID 109276095

IUPAC5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C15H24N4O2/c1-21-10-6-7-16-15(20)13-11-18-14(12-17-13)19-8-4-2-3-5-9-19/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyPXXULKKLUHERPO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.62
Rot. Bonds6

About 5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide

5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide (PubChem CID 109276095) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
PubChem CID109276095
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C15H24N4O2/c1-21-10-6-7-16-15(20)13-11-18-14(12-17-13)19-8-4-2-3-5-9-19/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyPXXULKKLUHERPO-UHFFFAOYSA-N
XLogP1.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-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

Related Compounds

N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518
N-(3-methylbutyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274517
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276089
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250092
N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354
5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285779
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275707
N-(2-morpholin-4-ylethyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273701
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275706
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109288007
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283539

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide (CID 109276095) is 5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide is COCCCNC(=O)c1cnc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The InChIKey is PXXULKKLUHERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-10-6-7-16-15(20)13-11-18-14(12-17-13)19-8-4-2-3-5-9-19/h11-12H,2-10H2,1H3,(H,16,20).
What are the key properties of 5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide?
5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109276095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).