5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide

C18H24N4O2 — CID 109272575

IUPAC5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)NCCc2cccc(OC)c2)cn1
InChIInChI=1S/C18H24N4O2/c1-3-4-9-19-17-13-21-16(12-22-17)18(23)20-10-8-14-6-5-7-15(11-14)24-2/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGYZSKPRNDVGGRY-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.67
Rot. Bonds9

About 5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide

5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109272575) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109272575
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)NCCc2cccc(OC)c2)cn1
InChIInChI=1S/C18H24N4O2/c1-3-4-9-19-17-13-21-16(12-22-17)18(23)20-10-8-14-6-5-7-15(11-14)24-2/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGYZSKPRNDVGGRY-UHFFFAOYSA-N
XLogP2.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(dimethylamino)propylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109277930
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282289
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484
N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109272422
N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 109271001
5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284737
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284777
N-[2-(3-methoxyphenyl)ethyl]-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109284747
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 109272575) is 5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is CCCCNc1cnc(C(=O)NCCc2cccc(OC)c2)cn1.
What is the InChIKey of 5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is GYZSKPRNDVGGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-4-9-19-17-13-21-16(12-22-17)18(23)20-10-8-14-6-5-7-15(11-14)24-2/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109272575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).