N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide

C13H12N2O3 — CID 118717064

IUPACN-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(=O)n(O)c1
InChIInChI=1S/C13H12N2O3/c16-12-7-6-11(9-15(12)18)13(17)14-8-10-4-2-1-3-5-10/h1-7,9,18H,8H2,(H,14,17)
InChIKeyTUDNAPBPWJYBLH-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.02
Rot. Bonds3

About N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide

N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide (PubChem CID 118717064) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide
PubChem CID118717064
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(=O)n(O)c1
InChIInChI=1S/C13H12N2O3/c16-12-7-6-11(9-15(12)18)13(17)14-8-10-4-2-1-3-5-10/h1-7,9,18H,8H2,(H,14,17)
InChIKeyTUDNAPBPWJYBLH-UHFFFAOYSA-N
XLogP1.02
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 20598592
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 70972239
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
4-(benzamidomethyl)benzoic acid
CID 10879683
N-benzyl-1,2-dimethyl-6-oxopyridine-4-carboxamide
CID 20668750
4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180379
4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180377
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide
CID 53276683
N-benzyl-4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 23314733

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide (CID 118717064) is N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(=O)n(O)c1.
What is the InChIKey of N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide?
The InChIKey is TUDNAPBPWJYBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-12-7-6-11(9-15(12)18)13(17)14-8-10-4-2-1-3-5-10/h1-7,9,18H,8H2,(H,14,17).
What are the key properties of N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide?
N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 118717064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).