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

C20H26N4O3 — CID 109274881

IUPAC5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(NC3CCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O3/c1-26-16-7-9-17(10-8-16)27-12-11-21-20(25)18-13-23-19(14-22-18)24-15-5-3-2-4-6-15/h7-10,13-15H,2-6,11-12H2,1H3,(H,21,25)(H,23,24)
InChIKeyRJRYNQGOKBVXST-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.04
Rot. Bonds8

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

5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide (PubChem CID 109274881) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
PubChem CID109274881
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(NC3CCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O3/c1-26-16-7-9-17(10-8-16)27-12-11-21-20(25)18-13-23-19(14-22-18)24-15-5-3-2-4-6-15/h7-10,13-15H,2-6,11-12H2,1H3,(H,21,25)(H,23,24)
InChIKeyRJRYNQGOKBVXST-UHFFFAOYSA-N
XLogP3.04
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109271821
6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124661
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830
5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109287152
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109295590
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide (CID 109274881) is 5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide is COc1ccc(OCCNC(=O)c2cnc(NC3CCCCC3)cn2)cc1.
What is the InChIKey of 5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
The InChIKey is RJRYNQGOKBVXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-16-7-9-17(10-8-16)27-12-11-21-20(25)18-13-23-19(14-22-18)24-15-5-3-2-4-6-15/h7-10,13-15H,2-6,11-12H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109274881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).