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

C15H26N4O3 — CID 104933041

IUPACtert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate
SMILESCCCn1ccnc(NCCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O3/c1-5-10-19-11-9-17-12(13(19)20)16-7-6-8-18-14(21)22-15(2,3)4/h9,11H,5-8,10H2,1-4H3,(H,16,17)(H,18,21)
InChIKeyDBAJLHJHTFQQJG-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.98
Rot. Bonds7

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

tert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate (PubChem CID 104933041) 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-propylpyrazin-2-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate
PubChem CID104933041
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate
SMILESCCCn1ccnc(NCCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O3/c1-5-10-19-11-9-17-12(13(19)20)16-7-6-8-18-14(21)22-15(2,3)4/h9,11H,5-8,10H2,1-4H3,(H,16,17)(H,18,21)
InChIKeyDBAJLHJHTFQQJG-UHFFFAOYSA-N
XLogP1.98
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.98
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-propylpyrazin-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-propylpyrazin-2-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate (CID 104933041) is tert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate is CCCn1ccnc(NCCCNC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate?
The InChIKey is DBAJLHJHTFQQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-5-10-19-11-9-17-12(13(19)20)16-7-6-8-18-14(21)22-15(2,3)4/h9,11H,5-8,10H2,1-4H3,(H,16,17)(H,18,21).
What are the key properties of tert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(3-oxo-4-propylpyrazin-2-yl)amino]propyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 1.98, 7 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-propylpyrazin-2-yl)amino]propyl]carbamate is sourced from PubChem (CID 104933041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).