N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide

C22H24N4O3 — CID 109287186

IUPACN-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(NCCOc2ccc(OC)cc2)cn1)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-3-26(17-7-5-4-6-8-17)22(27)20-15-25-21(16-24-20)23-13-14-29-19-11-9-18(28-2)10-12-19/h4-12,15-16H,3,13-14H2,1-2H3,(H,23,25)
InChIKeyQYMYUTHKDSPCHJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.64
Rot. Bonds9

About N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide

N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide (PubChem CID 109287186) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
PubChem CID109287186
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(NCCOc2ccc(OC)cc2)cn1)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-3-26(17-7-5-4-6-8-17)22(27)20-15-25-21(16-24-20)23-13-14-29-19-11-9-18(28-2)10-12-19/h4-12,15-16H,3,13-14H2,1-2H3,(H,23,25)
InChIKeyQYMYUTHKDSPCHJ-UHFFFAOYSA-N
XLogP3.64
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.64
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

5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272245
5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271228
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279990
5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109282125
N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291773
N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271148
6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109373626
N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109370385

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide (CID 109287186) is N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide is CCN(C(=O)c1cnc(NCCOc2ccc(OC)cc2)cn1)c1ccccc1.
What is the InChIKey of N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide?
The InChIKey is QYMYUTHKDSPCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-26(17-7-5-4-6-8-17)22(27)20-15-25-21(16-24-20)23-13-14-29-19-11-9-18(28-2)10-12-19/h4-12,15-16H,3,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide?
N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109287186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).