N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide

C14H13BN2O3 — CID 90330386

IUPACN-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)B(O)OCC2)c1cccnc1
InChIInChI=1S/C14H13BN2O3/c18-14(11-2-1-6-16-9-11)17-12-4-3-10-5-7-20-15(19)13(10)8-12/h1-4,6,8-9,19H,5,7H2,(H,17,18)
InChIKeyWUSAKKAYIRPCNS-UHFFFAOYSA-N
MW268.08 g/mol
LogP0.59
Rot. Bonds2

About N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide

N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide (PubChem CID 90330386) has the molecular formula C14H13BN2O3 and a molecular weight of 268.08 g/mol. Its IUPAC name is N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide
PubChem CID90330386
Molecular FormulaC14H13BN2O3
Molecular Weight268.08 g/mol
Exact Mass268.10
IUPAC NameN-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)B(O)OCC2)c1cccnc1
InChIInChI=1S/C14H13BN2O3/c18-14(11-2-1-6-16-9-11)17-12-4-3-10-5-7-20-15(19)13(10)8-12/h1-4,6,8-9,19H,5,7H2,(H,17,18)
InChIKeyWUSAKKAYIRPCNS-UHFFFAOYSA-N
XLogP0.59
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)pyridine-3-carboxamide
CID 63253121
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-methyl-5-pyridin-3-yl-1,2,4-triazole-3-carboxamide
CID 153314534
N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778271
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-pyridin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide
CID 142419726
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-6-morpholin-4-yl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 90330392
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778376
N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 571626
N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
CID 110778910

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide (CID 90330386) is N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)B(O)OCC2)c1cccnc1.
What is the InChIKey of N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide?
The InChIKey is WUSAKKAYIRPCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BN2O3/c18-14(11-2-1-6-16-9-11)17-12-4-3-10-5-7-20-15(19)13(10)8-12/h1-4,6,8-9,19H,5,7H2,(H,17,18).
What are the key properties of N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide?
N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide has a molecular weight of 268.08 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 90330386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).