3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride

C9H12ClN3O4 — CID 54737736

IUPAC3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)CNC(=O)c1[nH]ccc(=O)c1O.Cl
InChIInChI=1S/C9H11N3O4.ClH/c1-10-6(14)4-12-9(16)7-8(15)5(13)2-3-11-7;/h2-3,15H,4H2,1H3,(H,10,14)(H,11,13)(H,12,16);1H
InChIKeyXLIJVXOPXBLKKW-UHFFFAOYSA-N
MW261.67 g/mol
LogP-1.02
Rot. Bonds3

About 3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride

3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride (PubChem CID 54737736) has the molecular formula C9H12ClN3O4 and a molecular weight of 261.67 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
PubChem CID54737736
Molecular FormulaC9H12ClN3O4
Molecular Weight261.67 g/mol
Exact Mass261.05
IUPAC Name3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)CNC(=O)c1[nH]ccc(=O)c1O.Cl
InChIInChI=1S/C9H11N3O4.ClH/c1-10-6(14)4-12-9(16)7-8(15)5(13)2-3-11-7;/h2-3,15H,4H2,1H3,(H,10,14)(H,11,13)(H,12,16);1H
InChIKeyXLIJVXOPXBLKKW-UHFFFAOYSA-N
XLogP-1.02
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride (CID 54737736) is 3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride is CNC(=O)CNC(=O)c1[nH]ccc(=O)c1O.Cl.
What is the InChIKey of 3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
The InChIKey is XLIJVXOPXBLKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4.ClH/c1-10-6(14)4-12-9(16)7-8(15)5(13)2-3-11-7;/h2-3,15H,4H2,1H3,(H,10,14)(H,11,13)(H,12,16);1H.
What are the key properties of 3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride has a molecular weight of 261.67 g/mol, XLogP of -1.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 54737736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).