tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate

C15H26N4O3 — CID 104933061

IUPACtert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate
SMILESCC(C)n1ccnc(NCCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O3/c1-11(2)19-10-9-17-12(13(19)20)16-7-6-8-18-14(21)22-15(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,17)(H,18,21)
InChIKeyWCBLACJYXBCNAD-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.15
Rot. Bonds6

About tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate

tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate (PubChem CID 104933061) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate
PubChem CID104933061
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate
SMILESCC(C)n1ccnc(NCCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O3/c1-11(2)19-10-9-17-12(13(19)20)16-7-6-8-18-14(21)22-15(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,17)(H,18,21)
InChIKeyWCBLACJYXBCNAD-UHFFFAOYSA-N
XLogP2.15
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate (CID 104933061) is tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate is CC(C)n1ccnc(NCCCNC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate?
The InChIKey is WCBLACJYXBCNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11(2)19-10-9-17-12(13(19)20)16-7-6-8-18-14(21)22-15(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,17)(H,18,21).
What are the key properties of tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propyl]carbamate is sourced from PubChem (CID 104933061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).