N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide

C17H21N5O2 — CID 109272675

IUPACN-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)Nc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C17H21N5O2/c1-3-4-8-18-16-11-19-15(10-20-16)17(24)22-14-7-5-6-13(9-14)21-12(2)23/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,20)(H,21,23)(H,22,24)
InChIKeyOOCHYOREWXHAKU-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.90
Rot. Bonds7

About N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide

N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide (PubChem CID 109272675) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide
PubChem CID109272675
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)Nc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C17H21N5O2/c1-3-4-8-18-16-11-19-15(10-20-16)17(24)22-14-7-5-6-13(9-14)21-12(2)23/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,20)(H,21,23)(H,22,24)
InChIKeyOOCHYOREWXHAKU-UHFFFAOYSA-N
XLogP2.90
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288125
N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287947
5-(butylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109272630
N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288177
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633
5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272639
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
N-(3-acetylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283988
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
methyl 2-[[5-(butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109272677

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide (CID 109272675) is N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide is CCCCNc1cnc(C(=O)Nc2cccc(NC(C)=O)c2)cn1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide?
The InChIKey is OOCHYOREWXHAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-4-8-18-16-11-19-15(10-20-16)17(24)22-14-7-5-6-13(9-14)21-12(2)23/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,20)(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide?
N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).