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

C13H19N3O4 — CID 66761719

IUPACtert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC(=O)c1ccc(=O)[nH]c1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-13(2,3)16(12(19)20)7-6-14-11(18)9-4-5-10(17)15-8-9/h4-5,8H,6-7H2,1-3H3,(H,14,18)(H,15,17)(H,19,20)
InChIKeyYQSVEDGBQYOHNA-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.88
Rot. Bonds4

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

tert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid (PubChem CID 66761719) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is tert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid
PubChem CID66761719
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nametert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC(=O)c1ccc(=O)[nH]c1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-13(2,3)16(12(19)20)7-6-14-11(18)9-4-5-10(17)15-8-9/h4-5,8H,6-7H2,1-3H3,(H,14,18)(H,15,17)(H,19,20)
InChIKeyYQSVEDGBQYOHNA-UHFFFAOYSA-N
XLogP0.88
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 126802784
N-(2-aminoethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 126810764
Nikethamide Impurity 18
CID 9899087
N-(2-amino-2-oxoethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 43374294
6-oxo-N,N-di(propan-2-yl)-1H-pyridine-3-carboxamide
CID 9920888
N-ethyl-1-methyl-6-oxopyridine-3-carboxamide
CID 13429624
1-(2-Acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 21264852
3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 24700063
N-tert-butyl-6-oxo-1H-pyridine-3-carboxamide
CID 28829493
N-methyl-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 28887998
N-methyl-1-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 47073231
Tert-butyl (2-{[(6-hydroxypyridin-3-yl)carbonyl]amino}ethyl)carbamate
CID 47453308

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid (CID 66761719) is tert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid is CC(C)(C)N(CCNC(=O)c1ccc(=O)[nH]c1)C(=O)O.
What is the InChIKey of tert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid?
The InChIKey is YQSVEDGBQYOHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(2,3)16(12(19)20)7-6-14-11(18)9-4-5-10(17)15-8-9/h4-5,8H,6-7H2,1-3H3,(H,14,18)(H,15,17)(H,19,20).
What are the key properties of tert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid?
tert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid has a molecular weight of 281.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]carbamic acid is sourced from PubChem (CID 66761719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).