6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide

C13H20N4O2 — CID 122570616

IUPAC6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(NCCCOC2CCCC2)n1
InChIInChI=1S/C13H20N4O2/c14-13(18)11-8-15-9-12(17-11)16-6-3-7-19-10-4-1-2-5-10/h8-10H,1-7H2,(H2,14,18)(H,16,17)
InChIKeyQEFQVOAMBYGNQD-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.34
Rot. Bonds7

About 6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide

6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide (PubChem CID 122570616) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide
PubChem CID122570616
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(NCCCOC2CCCC2)n1
InChIInChI=1S/C13H20N4O2/c14-13(18)11-8-15-9-12(17-11)16-6-3-7-19-10-4-1-2-5-10/h8-10H,1-7H2,(H2,14,18)(H,16,17)
InChIKeyQEFQVOAMBYGNQD-UHFFFAOYSA-N
XLogP1.34
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide (CID 122570616) is 6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide is NC(=O)c1cncc(NCCCOC2CCCC2)n1.
What is the InChIKey of 6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide?
The InChIKey is QEFQVOAMBYGNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-13(18)11-8-15-9-12(17-11)16-6-3-7-19-10-4-1-2-5-10/h8-10H,1-7H2,(H2,14,18)(H,16,17).
What are the key properties of 6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide?
6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopentyloxypropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 122570616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).