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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Related Compounds

3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
CID 54737932
1-(2-Aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride
CID 10330568
N-(2-(3-hydroxy-2-methyl-4-oxopyridin-1(4h)-yl)ethyl)methacrylamide
CID 44328200
3-Hydroxy-N,1,6-trimethyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 54690006
3-hydroxy-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
CID 54737930
N-[(3-Hydroxy-1,6-dimethyl-4-oxo-1,4-dihydro-2-pyridinyl)methyl]acetamide
CID 10081839
N-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethyl]prop-2-enamide
CID 44328241
N-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethyl]propanamide
CID 44328242
N-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethyl]acetamide
CID 44341576
7-hydroxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione
CID 44397493
3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
CID 54737737
N-[2-[bis[2-[(3-hydroxy-4-oxo-1H-pyridine-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxo-1H-pyridine-2-carboxamide
CID 76324178

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).