N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide

C18H22N4O2 — CID 109288177

IUPACN-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)Nc2ccc(C(C)=O)cc2)cn1
InChIInChI=1S/C18H22N4O2/c1-3-4-5-10-19-17-12-20-16(11-21-17)18(24)22-15-8-6-14(7-9-15)13(2)23/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,21)(H,22,24)
InChIKeyCGLQJNCJYKYGKA-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.53
Rot. Bonds8

About N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide

N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide (PubChem CID 109288177) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
PubChem CID109288177
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)Nc2ccc(C(C)=O)cc2)cn1
InChIInChI=1S/C18H22N4O2/c1-3-4-5-10-19-17-12-20-16(11-21-17)18(24)22-15-8-6-14(7-9-15)13(2)23/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,21)(H,22,24)
InChIKeyCGLQJNCJYKYGKA-UHFFFAOYSA-N
XLogP3.53
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.53
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

N-(4-acetylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284566
methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288125
N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide
CID 109272675
N-(4-acetylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284391
N-(4-acetylphenyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277702
5-(butylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109272630
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883
N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276292
N-(4-acetylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282562

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide (CID 109288177) is N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide is CCCCCNc1cnc(C(=O)Nc2ccc(C(C)=O)cc2)cn1.
What is the InChIKey of N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide?
The InChIKey is CGLQJNCJYKYGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-4-5-10-19-17-12-20-16(11-21-17)18(24)22-15-8-6-14(7-9-15)13(2)23/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,21)(H,22,24).
What are the key properties of N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide?
N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109288177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).