N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide

C9H12N2O5 — CID 66177293

IUPACN-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC(O)CO)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C9H12N2O5/c12-4-6(13)3-10-9(16)5-1-7(14)11-8(15)2-5/h1-2,6,12-13H,3-4H2,(H,10,16)(H2,11,14,15)
InChIKeyVWTYPGXNQSFLTE-UHFFFAOYSA-N
MW228.20 g/mol
LogP-1.84
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide

N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 66177293) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
PubChem CID66177293
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC NameN-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC(O)CO)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C9H12N2O5/c12-4-6(13)3-10-9(16)5-1-7(14)11-8(15)2-5/h1-2,6,12-13H,3-4H2,(H,10,16)(H2,11,14,15)
InChIKeyVWTYPGXNQSFLTE-UHFFFAOYSA-N
XLogP-1.84
TPSA122.65 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-1.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid
CID 107833494
N-(2-amino-3-hydroxybutyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 64539564
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 65219647
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;ethane
CID 153358045
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218519
2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 104981474
3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113307764
5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide
CID 86337510
N-(2,3-dihydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 66176023
2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 66173796
1-N,3-N-bis(2,3-dihydroxypropyl)-5-isocyanatobenzene-1,3-dicarboxamide
CID 169352877

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide (CID 66177293) is N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide is O=C(NCC(O)CO)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is VWTYPGXNQSFLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c12-4-6(13)3-10-9(16)5-1-7(14)11-8(15)2-5/h1-2,6,12-13H,3-4H2,(H,10,16)(H2,11,14,15).
What are the key properties of N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 228.20 g/mol, XLogP of -1.84, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 66177293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).