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

C10H14ClN3O4 — CID 54737737

IUPAC3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)[C@H](C)NC(=O)c1[nH]ccc(=O)c1O.Cl
InChIInChI=1S/C10H13N3O4.ClH/c1-5(9(16)11-2)13-10(17)7-8(15)6(14)3-4-12-7;/h3-5,15H,1-2H3,(H,11,16)(H,12,14)(H,13,17);1H/t5-;/m0./s1
InChIKeyBQDMHRONVICQNW-JEDNCBNOSA-N
MW275.69 g/mol
LogP-0.63
Rot. Bonds3

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

3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride (PubChem CID 54737737) has the molecular formula C10H14ClN3O4 and a molecular weight of 275.69 g/mol. Its IUPAC name is 3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
PubChem CID54737737
Molecular FormulaC10H14ClN3O4
Molecular Weight275.69 g/mol
Exact Mass275.07
IUPAC Name3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)[C@H](C)NC(=O)c1[nH]ccc(=O)c1O.Cl
InChIInChI=1S/C10H13N3O4.ClH/c1-5(9(16)11-2)13-10(17)7-8(15)6(14)3-4-12-7;/h3-5,15H,1-2H3,(H,11,16)(H,12,14)(H,13,17);1H/t5-;/m0./s1
InChIKeyBQDMHRONVICQNW-JEDNCBNOSA-N
XLogP-0.63
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride (CID 54737737) is 3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride is CNC(=O)[C@H](C)NC(=O)c1[nH]ccc(=O)c1O.Cl.
What is the InChIKey of 3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
The InChIKey is BQDMHRONVICQNW-JEDNCBNOSA-N. The full InChI is InChI=1S/C10H13N3O4.ClH/c1-5(9(16)11-2)13-10(17)7-8(15)6(14)3-4-12-7;/h3-5,15H,1-2H3,(H,11,16)(H,12,14)(H,13,17);1H/t5-;/m0./s1.
What are the key properties of 3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride?
3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride has a molecular weight of 275.69 g/mol, XLogP of -0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 54737737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).