2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide

C14H14N2O3 — CID 114343947

IUPAC2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(O)c1O)c1ccncc1
InChIInChI=1S/C14H14N2O3/c1-9(10-5-7-15-8-6-10)16-14(19)11-3-2-4-12(17)13(11)18/h2-9,17-18H,1H3,(H,16,19)
InChIKeyLQPCPLCKTYZYAZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.98
Rot. Bonds3

About 2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide

2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 114343947) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID114343947
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(O)c1O)c1ccncc1
InChIInChI=1S/C14H14N2O3/c1-9(10-5-7-15-8-6-10)16-14(19)11-3-2-4-12(17)13(11)18/h2-9,17-18H,1H3,(H,16,19)
InChIKeyLQPCPLCKTYZYAZ-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 55069299
2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 95375385
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 103891609
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide
CID 114344109
4-amino-2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107794749
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide
CID 78775763

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide (CID 114343947) is 2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide is CC(NC(=O)c1cccc(O)c1O)c1ccncc1.
What is the InChIKey of 2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is LQPCPLCKTYZYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(10-5-7-15-8-6-10)16-14(19)11-3-2-4-12(17)13(11)18/h2-9,17-18H,1H3,(H,16,19).
What are the key properties of 2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide?
2,3-dihydroxy-N-(1-pyridin-4-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 2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 114343947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).