5-(pentylamino)-N-phenylpyrazine-2-carboxamide

C16H20N4O — CID 109288123

IUPAC5-(pentylamino)-N-phenylpyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C16H20N4O/c1-2-3-7-10-17-15-12-18-14(11-19-15)16(21)20-13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyGWWLJMQQPJIJQH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.33
Rot. Bonds7

About 5-(pentylamino)-N-phenylpyrazine-2-carboxamide

5-(pentylamino)-N-phenylpyrazine-2-carboxamide (PubChem CID 109288123) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(pentylamino)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(pentylamino)-N-phenylpyrazine-2-carboxamide
PubChem CID109288123
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-(pentylamino)-N-phenylpyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C16H20N4O/c1-2-3-7-10-17-15-12-18-14(11-19-15)16(21)20-13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyGWWLJMQQPJIJQH-UHFFFAOYSA-N
XLogP3.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.33
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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Frequently Asked Questions

What is the IUPAC name of 5-(pentylamino)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(pentylamino)-N-phenylpyrazine-2-carboxamide (CID 109288123) is 5-(pentylamino)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(pentylamino)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(pentylamino)-N-phenylpyrazine-2-carboxamide is CCCCCNc1cnc(C(=O)Nc2ccccc2)cn1.
What is the InChIKey of 5-(pentylamino)-N-phenylpyrazine-2-carboxamide?
The InChIKey is GWWLJMQQPJIJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-3-7-10-17-15-12-18-14(11-19-15)16(21)20-13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-(pentylamino)-N-phenylpyrazine-2-carboxamide?
5-(pentylamino)-N-phenylpyrazine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentylamino)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109288123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).