5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide

C22H24N4O2 — CID 109287022

IUPAC5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
SMILESCCOc1ccccc1Nc1cnc(C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C22H24N4O2/c1-2-28-20-13-7-6-12-18(20)26-21-16-24-19(15-25-21)22(27)23-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,15-16H,2,8,11,14H2,1H3,(H,23,27)(H,25,26)
InChIKeyFOHATWQTIRZVPV-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.98
Rot. Bonds9

About 5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide

5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide (PubChem CID 109287022) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
PubChem CID109287022
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
SMILESCCOc1ccccc1Nc1cnc(C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C22H24N4O2/c1-2-28-20-13-7-6-12-18(20)26-21-16-24-19(15-25-21)22(27)23-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,15-16H,2,8,11,14H2,1H3,(H,23,27)(H,25,26)
InChIKeyFOHATWQTIRZVPV-UHFFFAOYSA-N
XLogP3.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethoxyanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286788
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
CID 109292240
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298
5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287011
5-(2-ethoxyanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290242
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109284508
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide (CID 109287022) is 5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide is CCOc1ccccc1Nc1cnc(C(=O)NCCCc2ccccc2)cn1.
What is the InChIKey of 5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The InChIKey is FOHATWQTIRZVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-28-20-13-7-6-12-18(20)26-21-16-24-19(15-25-21)22(27)23-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,15-16H,2,8,11,14H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide?
5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).