N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide

C13H20N4O — CID 114035750

IUPACN-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cncc(NC)n1)C1CCCC1
InChIInChI=1S/C13H20N4O/c1-3-17(10-6-4-5-7-10)13(18)11-8-15-9-12(14-2)16-11/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyBQLWVMGSBRSYJR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.92
Rot. Bonds4

About N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide

N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide (PubChem CID 114035750) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide
PubChem CID114035750
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cncc(NC)n1)C1CCCC1
InChIInChI=1S/C13H20N4O/c1-3-17(10-6-4-5-7-10)13(18)11-8-15-9-12(14-2)16-11/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyBQLWVMGSBRSYJR-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide (CID 114035750) is N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide is CCN(C(=O)c1cncc(NC)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide?
The InChIKey is BQLWVMGSBRSYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-17(10-6-4-5-7-10)13(18)11-8-15-9-12(14-2)16-11/h8-10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide?
N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-6-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 114035750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).