methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate

C13H18N2O5 — CID 43623211

IUPACmethyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H18N2O5/c1-7(2)4-9(13(19)20-3)14-12(18)8-5-10(16)15-11(17)6-8/h5-7,9H,4H2,1-3H3,(H,14,18)(H2,15,16,17)
InChIKeyGDTNVFUYEUVHID-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.40
Rot. Bonds5

About methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate

methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate (PubChem CID 43623211) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate
PubChem CID43623211
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namemethyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H18N2O5/c1-7(2)4-9(13(19)20-3)14-12(18)8-5-10(16)15-11(17)6-8/h5-7,9H,4H2,1-3H3,(H,14,18)(H2,15,16,17)
InChIKeyGDTNVFUYEUVHID-UHFFFAOYSA-N
XLogP0.40
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate (CID 43623211) is methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate?
The InChIKey is GDTNVFUYEUVHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-7(2)4-9(13(19)20-3)14-12(18)8-5-10(16)15-11(17)6-8/h5-7,9H,4H2,1-3H3,(H,14,18)(H2,15,16,17).
What are the key properties of methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate?
methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate has a molecular weight of 282.30 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoate is sourced from PubChem (CID 43623211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).