5-cyano-6-(heptylamino)pyrazine-2-carboxamide

C13H19N5O — CID 52918028

IUPAC5-cyano-6-(heptylamino)pyrazine-2-carboxamide
SMILESCCCCCCCNc1nc(C(N)=O)cnc1C#N
InChIInChI=1S/C13H19N5O/c1-2-3-4-5-6-7-16-13-10(8-14)17-9-11(18-13)12(15)19/h9H,2-7H2,1H3,(H2,15,19)(H,16,18)
InChIKeyNXUIOLKKIRYNIX-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.83
Rot. Bonds8

About 5-cyano-6-(heptylamino)pyrazine-2-carboxamide

5-cyano-6-(heptylamino)pyrazine-2-carboxamide (PubChem CID 52918028) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-cyano-6-(heptylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-6-(heptylamino)pyrazine-2-carboxamide
PubChem CID52918028
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-cyano-6-(heptylamino)pyrazine-2-carboxamide
SMILESCCCCCCCNc1nc(C(N)=O)cnc1C#N
InChIInChI=1S/C13H19N5O/c1-2-3-4-5-6-7-16-13-10(8-14)17-9-11(18-13)12(15)19/h9H,2-7H2,1H3,(H2,15,19)(H,16,18)
InChIKeyNXUIOLKKIRYNIX-UHFFFAOYSA-N
XLogP1.83
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.83
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 5-cyano-6-(heptylamino)pyrazine-2-carboxamide?
The IUPAC name of 5-cyano-6-(heptylamino)pyrazine-2-carboxamide (CID 52918028) is 5-cyano-6-(heptylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-cyano-6-(heptylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5-cyano-6-(heptylamino)pyrazine-2-carboxamide is CCCCCCCNc1nc(C(N)=O)cnc1C#N.
What is the InChIKey of 5-cyano-6-(heptylamino)pyrazine-2-carboxamide?
The InChIKey is NXUIOLKKIRYNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-3-4-5-6-7-16-13-10(8-14)17-9-11(18-13)12(15)19/h9H,2-7H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of 5-cyano-6-(heptylamino)pyrazine-2-carboxamide?
5-cyano-6-(heptylamino)pyrazine-2-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-(heptylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 52918028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).