4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid

C14H19N3O4 — CID 115438721

IUPAC4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CNc2nccn(C3CC3)c2=O)CCOCC1
InChIInChI=1S/C14H19N3O4/c18-12-11(15-5-6-17(12)10-1-2-10)16-9-14(13(19)20)3-7-21-8-4-14/h5-6,10H,1-4,7-9H2,(H,15,16)(H,19,20)
InChIKeySVXCZEILESZIMZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.87
Rot. Bonds5

About 4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid

4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 115438721) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
PubChem CID115438721
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CNc2nccn(C3CC3)c2=O)CCOCC1
InChIInChI=1S/C14H19N3O4/c18-12-11(15-5-6-17(12)10-1-2-10)16-9-14(13(19)20)3-7-21-8-4-14/h5-6,10H,1-4,7-9H2,(H,15,16)(H,19,20)
InChIKeySVXCZEILESZIMZ-UHFFFAOYSA-N
XLogP0.87
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid (CID 115438721) is 4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid is O=C(O)C1(CNc2nccn(C3CC3)c2=O)CCOCC1.
What is the InChIKey of 4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is SVXCZEILESZIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-12-11(15-5-6-17(12)10-1-2-10)16-9-14(13(19)20)3-7-21-8-4-14/h5-6,10H,1-4,7-9H2,(H,15,16)(H,19,20).
What are the key properties of 4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid?
4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115438721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).