5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide

C17H20N4O3 — CID 109271821

IUPAC5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(NC3CC3)cn2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-9-8-18-17(22)15-10-20-16(11-19-15)21-12-2-3-12/h4-7,10-12H,2-3,8-9H2,1H3,(H,18,22)(H,20,21)
InChIKeyKEQJKVFWPNGLOM-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.87
Rot. Bonds8

About 5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide

5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide (PubChem CID 109271821) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
PubChem CID109271821
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(NC3CC3)cn2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-9-8-18-17(22)15-10-20-16(11-19-15)21-12-2-3-12/h4-7,10-12H,2-3,8-9H2,1H3,(H,18,22)(H,20,21)
InChIKeyKEQJKVFWPNGLOM-UHFFFAOYSA-N
XLogP1.87
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]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

5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109274881
6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124661
2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109295590
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830
5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109287152
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
N-[2-(4-methoxyphenoxy)ethyl]-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283097
5-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109271885
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280392

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide (CID 109271821) is 5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide is COc1ccc(OCCNC(=O)c2cnc(NC3CC3)cn2)cc1.
What is the InChIKey of 5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
The InChIKey is KEQJKVFWPNGLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-9-8-18-17(22)15-10-20-16(11-19-15)21-12-2-3-12/h4-7,10-12H,2-3,8-9H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109271821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).