2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid

C12H14N2O5 — CID 70203259

IUPAC2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)C(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C12H14N2O5/c1-12(2,3)19-11(18)9(15)14-8-7(10(16)17)5-4-6-13-8/h4-6H,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyVVNPBFQFICRLBK-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.06
Rot. Bonds2

About 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid

2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid (PubChem CID 70203259) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid
PubChem CID70203259
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)C(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C12H14N2O5/c1-12(2,3)19-11(18)9(15)14-8-7(10(16)17)5-4-6-13-8/h4-6H,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyVVNPBFQFICRLBK-UHFFFAOYSA-N
XLogP1.06
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 156529148
tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate
CID 90044554
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid
CID 167970694
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2-(2-methylbutanoylamino)pyridine-3-carboxylic acid
CID 63654439
2-[[(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-3-yl]amino]pyridine-3-carboxylic acid
CID 162577082
2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
CID 43420764
2-formamidopyridine-3-carboxylic acid
CID 54137252
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid (CID 70203259) is 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)C(=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is VVNPBFQFICRLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-12(2,3)19-11(18)9(15)14-8-7(10(16)17)5-4-6-13-8/h4-6H,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid?
2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 70203259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).