5-(pentylamino)pyrazine-2-carboxamide

C10H16N4O — CID 73212509

IUPAC5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(N)=O)cn1
InChIInChI=1S/C10H16N4O/c1-2-3-4-5-12-9-7-13-8(6-14-9)10(11)15/h6-7H,2-5H2,1H3,(H2,11,15)(H,12,14)
InChIKeyWZODLYHZAPHRMR-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.18
Rot. Bonds6

About 5-(pentylamino)pyrazine-2-carboxamide

5-(pentylamino)pyrazine-2-carboxamide (PubChem CID 73212509) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(pentylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(pentylamino)pyrazine-2-carboxamide
PubChem CID73212509
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(pentylamino)pyrazine-2-carboxamide
SMILESCCCCCNc1cnc(C(N)=O)cn1
InChIInChI=1S/C10H16N4O/c1-2-3-4-5-12-9-7-13-8(6-14-9)10(11)15/h6-7H,2-5H2,1H3,(H2,11,15)(H,12,14)
InChIKeyWZODLYHZAPHRMR-UHFFFAOYSA-N
XLogP1.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.18
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)pyrazine-2-carboxamide?
The IUPAC name of 5-(pentylamino)pyrazine-2-carboxamide (CID 73212509) is 5-(pentylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(pentylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5-(pentylamino)pyrazine-2-carboxamide is CCCCCNc1cnc(C(N)=O)cn1.
What is the InChIKey of 5-(pentylamino)pyrazine-2-carboxamide?
The InChIKey is WZODLYHZAPHRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-3-4-5-12-9-7-13-8(6-14-9)10(11)15/h6-7H,2-5H2,1H3,(H2,11,15)(H,12,14).
What are the key properties of 5-(pentylamino)pyrazine-2-carboxamide?
5-(pentylamino)pyrazine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 73212509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).