[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C19H22N2O4 — CID 2549455

IUPAC[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C19H22N2O4/c1-19(2,3)21(12-14-8-5-4-6-9-14)16(22)13-25-18(24)15-10-7-11-20-17(15)23/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyAXGONVVYKJGPBN-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.36
Rot. Bonds5

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2549455) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2549455
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C19H22N2O4/c1-19(2,3)21(12-14-8-5-4-6-9-14)16(22)13-25-18(24)15-10-7-11-20-17(15)23/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyAXGONVVYKJGPBN-UHFFFAOYSA-N
XLogP2.36
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2549455) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc[nH]c1=O.
What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is AXGONVVYKJGPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(2,3)21(12-14-8-5-4-6-9-14)16(22)13-25-18(24)15-10-7-11-20-17(15)23/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2549455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).