N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide

C17H22N4O2 — CID 109276292

IUPACN-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(NCCCOC)cn2)cc1
InChIInChI=1S/C17H22N4O2/c1-3-13-5-7-14(8-6-13)21-17(22)15-11-20-16(12-19-15)18-9-4-10-23-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyVPJWDKZZIASFMB-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.74
Rot. Bonds8

About N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide

N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (PubChem CID 109276292) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
PubChem CID109276292
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(NCCCOC)cn2)cc1
InChIInChI=1S/C17H22N4O2/c1-3-13-5-7-14(8-6-13)21-17(22)15-11-20-16(12-19-15)18-9-4-10-23-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyVPJWDKZZIASFMB-UHFFFAOYSA-N
XLogP2.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.74
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-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109277983
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109276347
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276316
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326
N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276313
methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276356
N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283696
5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109276297
N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288177
N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276285

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (CID 109276292) is N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide is CCc1ccc(NC(=O)c2cnc(NCCCOC)cn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The InChIKey is VPJWDKZZIASFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-13-5-7-14(8-6-13)21-17(22)15-11-20-16(12-19-15)18-9-4-10-23-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109276292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).