tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate

C13H19N3O4 — CID 47453308

IUPACtert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-7-6-14-11(18)9-4-5-10(17)16-8-9/h4-5,8H,6-7H2,1-3H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyRCFNMKXOZLIDFG-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.63
Rot. Bonds4

About tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate

tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate (PubChem CID 47453308) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate
PubChem CID47453308
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nametert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-7-6-14-11(18)9-4-5-10(17)16-8-9/h4-5,8H,6-7H2,1-3H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyRCFNMKXOZLIDFG-UHFFFAOYSA-N
XLogP0.63
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate (CID 47453308) is tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate?
The InChIKey is RCFNMKXOZLIDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-7-6-14-11(18)9-4-5-10(17)16-8-9/h4-5,8H,6-7H2,1-3H3,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate has a molecular weight of 281.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 47453308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).