4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide

C13H20N4O2 — CID 62846651

IUPAC4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide
SMILESCc1cnc(CNC(=O)C2(CN)CCOCC2)cn1
InChIInChI=1S/C13H20N4O2/c1-10-6-16-11(7-15-10)8-17-12(18)13(9-14)2-4-19-5-3-13/h6-7H,2-5,8-9,14H2,1H3,(H,17,18)
InChIKeyLUIHLQKACMPJSU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.16
Rot. Bonds4

About 4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide (PubChem CID 62846651) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide
PubChem CID62846651
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide
SMILESCc1cnc(CNC(=O)C2(CN)CCOCC2)cn1
InChIInChI=1S/C13H20N4O2/c1-10-6-16-11(7-15-10)8-17-12(18)13(9-14)2-4-19-5-3-13/h6-7H,2-5,8-9,14H2,1H3,(H,17,18)
InChIKeyLUIHLQKACMPJSU-UHFFFAOYSA-N
XLogP0.16
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide (CID 62846651) is 4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide is Cc1cnc(CNC(=O)C2(CN)CCOCC2)cn1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide?
The InChIKey is LUIHLQKACMPJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-6-16-11(7-15-10)8-17-12(18)13(9-14)2-4-19-5-3-13/h6-7H,2-5,8-9,14H2,1H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 62846651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).