N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide

C12H18N4O2 — CID 114036115

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)N(CCO)C2CCC2)n1
InChIInChI=1S/C12H18N4O2/c1-13-11-8-14-7-10(15-11)12(18)16(5-6-17)9-3-2-4-9/h7-9,17H,2-6H2,1H3,(H,13,15)
InChIKeyWPZXOYHNWKZRCU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.51
Rot. Bonds5

About N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide (PubChem CID 114036115) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide
PubChem CID114036115
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)N(CCO)C2CCC2)n1
InChIInChI=1S/C12H18N4O2/c1-13-11-8-14-7-10(15-11)12(18)16(5-6-17)9-3-2-4-9/h7-9,17H,2-6H2,1H3,(H,13,15)
InChIKeyWPZXOYHNWKZRCU-UHFFFAOYSA-N
XLogP0.51
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide (CID 114036115) is N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide is CNc1cncc(C(=O)N(CCO)C2CCC2)n1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide?
The InChIKey is WPZXOYHNWKZRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-11-8-14-7-10(15-11)12(18)16(5-6-17)9-3-2-4-9/h7-9,17H,2-6H2,1H3,(H,13,15).
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide?
N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 114036115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).