[2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid

C10H15BN2O4 — CID 131749020

IUPAC[2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid
SMILESCc1nc(C(=O)NC(C)C)ccc1OB(O)O
InChIInChI=1S/C10H15BN2O4/c1-6(2)12-10(14)8-4-5-9(7(3)13-8)17-11(15)16/h4-6,15-16H,1-3H3,(H,12,14)
InChIKeyHXNJSIKCFDPYDH-UHFFFAOYSA-N
MW238.05 g/mol
LogP-0.12
Rot. Bonds4

About [2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid

[2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid (PubChem CID 131749020) has the molecular formula C10H15BN2O4 and a molecular weight of 238.05 g/mol. Its IUPAC name is [2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid.

Molecular Properties

Compound Name[2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid
PubChem CID131749020
Molecular FormulaC10H15BN2O4
Molecular Weight238.05 g/mol
Exact Mass238.11
IUPAC Name[2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid
SMILESCc1nc(C(=O)NC(C)C)ccc1OB(O)O
InChIInChI=1S/C10H15BN2O4/c1-6(2)12-10(14)8-4-5-9(7(3)13-8)17-11(15)16/h4-6,15-16H,1-3H3,(H,12,14)
InChIKeyHXNJSIKCFDPYDH-UHFFFAOYSA-N
XLogP-0.12
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide
CID 176965081
[2-methoxy-4-(propan-2-ylcarbamoyl)phenoxy]boronic acid
CID 142797901
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
2,6-dimethyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 110847887
methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate
CID 43424083
6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61466256
4-methyl-N-propan-2-ylbenzo[f]isoquinoline-2-carboxamide
CID 101112912
ethane;5-methyl-N-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 171564740
6-methoxy-N-propan-2-ylpyridazine-3-carboxamide
CID 129166823
6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360708

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid?
The IUPAC name of [2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid (CID 131749020) is [2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid.
What is the SMILES notation for [2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid?
The canonical SMILES for [2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid is Cc1nc(C(=O)NC(C)C)ccc1OB(O)O.
What is the InChIKey of [2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid?
The InChIKey is HXNJSIKCFDPYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BN2O4/c1-6(2)12-10(14)8-4-5-9(7(3)13-8)17-11(15)16/h4-6,15-16H,1-3H3,(H,12,14).
What are the key properties of [2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid?
[2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid has a molecular weight of 238.05 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid is sourced from PubChem (CID 131749020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).