5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide

C15H15N3O5 — CID 44540009

IUPAC5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C15H15N3O5/c19-8-11-10(7-16-12(13(11)20)15(22)18-23)14(21)17-6-9-4-2-1-3-5-9/h1-5,7,19-20,23H,6,8H2,(H,17,21)(H,18,22)
InChIKeyGKVSLVGRUDLANQ-UHFFFAOYSA-N
MW317.30 g/mol
LogP0.33
Rot. Bonds5

About 5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide

5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide (PubChem CID 44540009) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
PubChem CID44540009
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide
SMILESO=C(NCc1ccccc1)c1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C15H15N3O5/c19-8-11-10(7-16-12(13(11)20)15(22)18-23)14(21)17-6-9-4-2-1-3-5-9/h1-5,7,19-20,23H,6,8H2,(H,17,21)(H,18,22)
InChIKeyGKVSLVGRUDLANQ-UHFFFAOYSA-N
XLogP0.33
TPSA131.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,3-dihydroxy-4-(hydroxymethyl)-5-N-[(4-methoxyphenyl)methyl]pyridine-2,5-dicarboxamide
CID 44541025
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
CID 127041224
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003
N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 20816888
N-benzylfuro[3,2-b]quinoxaline-3-carboxamide
CID 5242983
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
CID 101429178

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide (CID 44540009) is 5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide is O=C(NCc1ccccc1)c1cnc(C(=O)NO)c(O)c1CO.
What is the InChIKey of 5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
The InChIKey is GKVSLVGRUDLANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c19-8-11-10(7-16-12(13(11)20)15(22)18-23)14(21)17-6-9-4-2-1-3-5-9/h1-5,7,19-20,23H,6,8H2,(H,17,21)(H,18,22).
What are the key properties of 5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide?
5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide has a molecular weight of 317.30 g/mol, XLogP of 0.33, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-2-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 44540009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).