N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide

C17H22N4O — CID 109288125

IUPACN-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C17H22N4O/c1-3-4-5-9-18-16-12-19-15(11-20-16)17(22)21-14-8-6-7-13(2)10-14/h6-8,10-12H,3-5,9H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyYQJIWWMAWCMTBL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.64
Rot. Bonds7

About N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide

N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide (PubChem CID 109288125) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
PubChem CID109288125
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C17H22N4O/c1-3-4-5-9-18-16-12-19-15(11-20-16)17(22)21-14-8-6-7-13(2)10-14/h6-8,10-12H,3-5,9H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyYQJIWWMAWCMTBL-UHFFFAOYSA-N
XLogP3.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-5-(butylamino)pyrazine-2-carboxamide
CID 109272675
5-(butylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109272630
N-(4-acetylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288177
5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
CID 109280397
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283399
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272639
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide (CID 109288125) is N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide is CCCCCNc1cnc(C(=O)Nc2cccc(C)c2)cn1.
What is the InChIKey of N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide?
The InChIKey is YQJIWWMAWCMTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-4-5-9-18-16-12-19-15(11-20-16)17(22)21-14-8-6-7-13(2)10-14/h6-8,10-12H,3-5,9H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide?
N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109288125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).