N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide

C13H20N4O — CID 114035970

IUPACN-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)NC2CCC(C)C2C)n1
InChIInChI=1S/C13H20N4O/c1-8-4-5-10(9(8)2)17-13(18)11-6-15-7-12(14-3)16-11/h6-10H,4-5H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyOGIDCAGFXLPPAD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.68
Rot. Bonds3

About N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide

N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide (PubChem CID 114035970) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide
PubChem CID114035970
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)NC2CCC(C)C2C)n1
InChIInChI=1S/C13H20N4O/c1-8-4-5-10(9(8)2)17-13(18)11-6-15-7-12(14-3)16-11/h6-10H,4-5H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyOGIDCAGFXLPPAD-UHFFFAOYSA-N
XLogP1.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide (CID 114035970) is N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide is CNc1cncc(C(=O)NC2CCC(C)C2C)n1.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide?
The InChIKey is OGIDCAGFXLPPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-4-5-10(9(8)2)17-13(18)11-6-15-7-12(14-3)16-11/h6-10H,4-5H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide?
N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-6-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 114035970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).