ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate

C19H23N3O3 — CID 118176752

IUPACethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate
SMILESCCOC(=O)CCNCc1cnc(Oc2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C19H23N3O3/c1-2-24-19(23)9-10-20-11-16-12-22-18(13-21-16)25-17-7-5-15(6-8-17)14-3-4-14/h5-8,12-14,20H,2-4,9-11H2,1H3
InChIKeyREIXXWMDKUXSPY-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.19
Rot. Bonds9

About ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate

ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate (PubChem CID 118176752) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate
PubChem CID118176752
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate
SMILESCCOC(=O)CCNCc1cnc(Oc2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C19H23N3O3/c1-2-24-19(23)9-10-20-11-16-12-22-18(13-21-16)25-17-7-5-15(6-8-17)14-3-4-14/h5-8,12-14,20H,2-4,9-11H2,1H3
InChIKeyREIXXWMDKUXSPY-UHFFFAOYSA-N
XLogP3.19
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176696
ethyl 4-[(4-cyclopropylphenyl)methylamino]butanoate
CID 79984845
N-[[5-(4-methoxyphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381915
ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989927
5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde
CID 118113308
6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde
CID 118113115
ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176672
ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 64800694
ethyl 3-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176702
N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381727
ethyl 3-[(6-bromo-3-pyridinyl)methylamino]propanoate
CID 118176608
1-O-ethyl 4-O-[6-[4-(4-propylcyclohexyl)phenoxy]hexyl] butanedioate
CID 58027851

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate?
The IUPAC name of ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate (CID 118176752) is ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate?
The canonical SMILES for ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate is CCOC(=O)CCNCc1cnc(Oc2ccc(C3CC3)cc2)cn1.
What is the InChIKey of ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate?
The InChIKey is REIXXWMDKUXSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-24-19(23)9-10-20-11-16-12-22-18(13-21-16)25-17-7-5-15(6-8-17)14-3-4-14/h5-8,12-14,20H,2-4,9-11H2,1H3.
What are the key properties of ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate?
ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate has a molecular weight of 341.41 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate is sourced from PubChem (CID 118176752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).