[6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid

C14H15BN2O4 — CID 139991957

IUPAC[6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid
SMILESCc1cc(OB(O)O)cnc1N(C)C(=O)c1ccccc1
InChIInChI=1S/C14H15BN2O4/c1-10-8-12(21-15(19)20)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9,19-20H,1-2H3
InChIKeyMXABVZBRHDIDKC-UHFFFAOYSA-N
MW286.10 g/mol
LogP1.01
Rot. Bonds4

About [6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid

[6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid (PubChem CID 139991957) has the molecular formula C14H15BN2O4 and a molecular weight of 286.10 g/mol. Its IUPAC name is [6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid.

Molecular Properties

Compound Name[6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid
PubChem CID139991957
Molecular FormulaC14H15BN2O4
Molecular Weight286.10 g/mol
Exact Mass286.11
IUPAC Name[6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid
SMILESCc1cc(OB(O)O)cnc1N(C)C(=O)c1ccccc1
InChIInChI=1S/C14H15BN2O4/c1-10-8-12(21-15(19)20)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9,19-20H,1-2H3
InChIKeyMXABVZBRHDIDKC-UHFFFAOYSA-N
XLogP1.01
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid?
The IUPAC name of [6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid (CID 139991957) is [6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid.
What is the SMILES notation for [6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid?
The canonical SMILES for [6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid is Cc1cc(OB(O)O)cnc1N(C)C(=O)c1ccccc1.
What is the InChIKey of [6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid?
The InChIKey is MXABVZBRHDIDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BN2O4/c1-10-8-12(21-15(19)20)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9,19-20H,1-2H3.
What are the key properties of [6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid?
[6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid has a molecular weight of 286.10 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid is sourced from PubChem (CID 139991957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).