2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide

C14H14N2O3 — CID 103891645

IUPAC2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(O)ccc1O)c1cccnc1
InChIInChI=1S/C14H14N2O3/c1-9(10-3-2-6-15-8-10)16-14(19)12-7-11(17)4-5-13(12)18/h2-9,17-18H,1H3,(H,16,19)
InChIKeyVXATUWPVRNDVNC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.98
Rot. Bonds3

About 2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide

2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 103891645) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID103891645
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(O)ccc1O)c1cccnc1
InChIInChI=1S/C14H14N2O3/c1-9(10-3-2-6-15-8-10)16-14(19)12-7-11(17)4-5-13(12)18/h2-9,17-18H,1H3,(H,16,19)
InChIKeyVXATUWPVRNDVNC-UHFFFAOYSA-N
XLogP1.98
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103604669
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 54861340
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
2,5-dihydroxy-N-pyridin-3-ylbenzamide
CID 113347059
4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 107794747
5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330422

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide (CID 103891645) is 2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide is CC(NC(=O)c1cc(O)ccc1O)c1cccnc1.
What is the InChIKey of 2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is VXATUWPVRNDVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(10-3-2-6-15-8-10)16-14(19)12-7-11(17)4-5-13(12)18/h2-9,17-18H,1H3,(H,16,19).
What are the key properties of 2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide?
2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 258.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 103891645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).