N-cycloheptylpyrazine-2-carboxamide

C12H17N3O — CID 1086736

IUPACN-cycloheptylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnccn1
InChIInChI=1S/C12H17N3O/c16-12(11-9-13-7-8-14-11)15-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,15,16)
InChIKeyARBBBIIFMZCNQJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.93
Rot. Bonds2

About N-cycloheptylpyrazine-2-carboxamide

N-cycloheptylpyrazine-2-carboxamide (PubChem CID 1086736) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-cycloheptylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptylpyrazine-2-carboxamide
PubChem CID1086736
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-cycloheptylpyrazine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnccn1
InChIInChI=1S/C12H17N3O/c16-12(11-9-13-7-8-14-11)15-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,15,16)
InChIKeyARBBBIIFMZCNQJ-UHFFFAOYSA-N
XLogP1.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptylpyrazine-2-carboxamide?
The IUPAC name of N-cycloheptylpyrazine-2-carboxamide (CID 1086736) is N-cycloheptylpyrazine-2-carboxamide.
What is the SMILES notation for N-cycloheptylpyrazine-2-carboxamide?
The canonical SMILES for N-cycloheptylpyrazine-2-carboxamide is O=C(NC1CCCCCC1)c1cnccn1.
What is the InChIKey of N-cycloheptylpyrazine-2-carboxamide?
The InChIKey is ARBBBIIFMZCNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(11-9-13-7-8-14-11)15-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,15,16).
What are the key properties of N-cycloheptylpyrazine-2-carboxamide?
N-cycloheptylpyrazine-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptylpyrazine-2-carboxamide is sourced from PubChem (CID 1086736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).