6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide

C11H17N5O2 — CID 131896641

IUPAC6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide
SMILESCN1CCOC(CNc2cncc(C(N)=O)n2)C1
InChIInChI=1S/C11H17N5O2/c1-16-2-3-18-8(7-16)4-14-10-6-13-5-9(15-10)11(12)17/h5-6,8H,2-4,7H2,1H3,(H2,12,17)(H,14,15)
InChIKeyPOEZLFCXYNIXDQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.68
Rot. Bonds4

About 6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide

6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide (PubChem CID 131896641) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide
PubChem CID131896641
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide
SMILESCN1CCOC(CNc2cncc(C(N)=O)n2)C1
InChIInChI=1S/C11H17N5O2/c1-16-2-3-18-8(7-16)4-14-10-6-13-5-9(15-10)11(12)17/h5-6,8H,2-4,7H2,1H3,(H2,12,17)(H,14,15)
InChIKeyPOEZLFCXYNIXDQ-UHFFFAOYSA-N
XLogP-0.68
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of 6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide (CID 131896641) is 6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide is CN1CCOC(CNc2cncc(C(N)=O)n2)C1.
What is the InChIKey of 6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide?
The InChIKey is POEZLFCXYNIXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-16-2-3-18-8(7-16)4-14-10-6-13-5-9(15-10)11(12)17/h5-6,8H,2-4,7H2,1H3,(H2,12,17)(H,14,15).
What are the key properties of 6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide?
6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 131896641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).