5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide

C18H24N4O2 — CID 109276297

IUPAC5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C18H24N4O2/c1-12-8-13(2)17(14(3)9-12)22-18(23)15-10-21-16(11-20-15)19-6-5-7-24-4/h8-11H,5-7H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyWITDVYLYFILYKW-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.10
Rot. Bonds7

About 5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide

5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109276297) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
PubChem CID109276297
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2c(C)cc(C)cc2C)cn1
InChIInChI=1S/C18H24N4O2/c1-12-8-13(2)17(14(3)9-12)22-18(23)15-10-21-16(11-20-15)19-6-5-7-24-4/h8-11H,5-7H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyWITDVYLYFILYKW-UHFFFAOYSA-N
XLogP3.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.10
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-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272639
N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276285
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276316
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109273026
5-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272249
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326
N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276292
N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276313
5-(butylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109272630
N-[2-(dimethylamino)ethyl]-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276206
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109276347
5-(furan-2-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109279550

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide (CID 109276297) is 5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide is COCCCNc1cnc(C(=O)Nc2c(C)cc(C)cc2C)cn1.
What is the InChIKey of 5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is WITDVYLYFILYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-8-13(2)17(14(3)9-12)22-18(23)15-10-21-16(11-20-15)19-6-5-7-24-4/h8-11H,5-7H2,1-4H3,(H,19,21)(H,22,23).
What are the key properties of 5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109276297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).