5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide

C17H22N4O3 — CID 109271228

IUPAC5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCOc1ccc(OCCNc2cnc(C(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O3/c1-12(2)21-17(22)15-10-20-16(11-19-15)18-8-9-24-14-6-4-13(23-3)5-7-14/h4-7,10-12H,8-9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyPKBLRSIOVGUKOP-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.11
Rot. Bonds8

About 5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide

5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 109271228) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID109271228
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCOc1ccc(OCCNc2cnc(C(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O3/c1-12(2)21-17(22)15-10-20-16(11-19-15)18-8-9-24-14-6-4-13(23-3)5-7-14/h4-7,10-12H,8-9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyPKBLRSIOVGUKOP-UHFFFAOYSA-N
XLogP2.11
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.11
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-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830
6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109151337
N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
CID 109281571
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279990
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280259
1-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113029923
1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea
CID 113044200
N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
CID 109287186
5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109274881
N-[2-(4-methoxyphenoxy)ethyl]-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283097

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide (CID 109271228) is 5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide is COc1ccc(OCCNc2cnc(C(=O)NC(C)C)cn2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is PKBLRSIOVGUKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12(2)21-17(22)15-10-20-16(11-19-15)18-8-9-24-14-6-4-13(23-3)5-7-14/h4-7,10-12H,8-9H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide?
5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109271228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).