N-(4-methoxy-2-pyridinyl)-methylboronamidic acid

C7H11BN2O2 — CID 58334975

IUPACN-(4-methoxy-2-pyridinyl)-methylboronamidic acid
SMILESCOc1ccnc(NB(C)O)c1
InChIInChI=1S/C7H11BN2O2/c1-8(11)10-7-5-6(12-2)3-4-9-7/h3-5,11H,1-2H3,(H,9,10)
InChIKeyGUKOHTMNJGWXET-UHFFFAOYSA-N
MW165.99 g/mol
LogP0.61
Rot. Bonds3

About N-(4-methoxy-2-pyridinyl)-methylboronamidic acid

N-(4-methoxy-2-pyridinyl)-methylboronamidic acid (PubChem CID 58334975) has the molecular formula C7H11BN2O2 and a molecular weight of 165.99 g/mol. Its IUPAC name is N-(4-methoxy-2-pyridinyl)-methylboronamidic acid.

Molecular Properties

Compound NameN-(4-methoxy-2-pyridinyl)-methylboronamidic acid
PubChem CID58334975
Molecular FormulaC7H11BN2O2
Molecular Weight165.99 g/mol
Exact Mass166.09
IUPAC NameN-(4-methoxy-2-pyridinyl)-methylboronamidic acid
SMILESCOc1ccnc(NB(C)O)c1
InChIInChI=1S/C7H11BN2O2/c1-8(11)10-7-5-6(12-2)3-4-9-7/h3-5,11H,1-2H3,(H,9,10)
InChIKeyGUKOHTMNJGWXET-UHFFFAOYSA-N
XLogP0.61
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.99
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine
CID 115922894
[2-(methylamino)-4-pyridinyl]oxyboronic acid
CID 169224156
4-hydroxy-N-(4-methoxy-2-pyridinyl)benzamide
CID 121273557
N-(benzhydrylideneamino)-4-methoxypyridin-2-amine
CID 59186968
N-benzyl-4-methoxypyridin-2-amine
CID 82674350
4-methoxypyridine-2-carbothioamide
CID 62926631
tert-butyl N-(4-acetyl-2-pyridinyl)carbamate;tert-butyl N-(4-methoxy-2-pyridinyl)carbamate
CID 158085434
4-methoxy-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 115922912
N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 12857633
4-methoxy-N-piperidin-4-ylpyridin-2-amine
CID 11458426
2-[5-[(4-methoxy-2-pyridinyl)amino]-2-pyridinyl]propan-2-ol
CID 170372213
(4-fluoropiperidin-4-yl)-(7-methyliminospiro[6H-thieno[3,2-b]pyran-5,4'-piperidine]-1'-yl)methanone;methane;N-(4-methoxy-2-pyridinyl)-methylboronamidic acid
CID 162049476

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-pyridinyl)-methylboronamidic acid?
The IUPAC name of N-(4-methoxy-2-pyridinyl)-methylboronamidic acid (CID 58334975) is N-(4-methoxy-2-pyridinyl)-methylboronamidic acid.
What is the SMILES notation for N-(4-methoxy-2-pyridinyl)-methylboronamidic acid?
The canonical SMILES for N-(4-methoxy-2-pyridinyl)-methylboronamidic acid is COc1ccnc(NB(C)O)c1.
What is the InChIKey of N-(4-methoxy-2-pyridinyl)-methylboronamidic acid?
The InChIKey is GUKOHTMNJGWXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BN2O2/c1-8(11)10-7-5-6(12-2)3-4-9-7/h3-5,11H,1-2H3,(H,9,10).
What are the key properties of N-(4-methoxy-2-pyridinyl)-methylboronamidic acid?
N-(4-methoxy-2-pyridinyl)-methylboronamidic acid has a molecular weight of 165.99 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-pyridinyl)-methylboronamidic acid is sourced from PubChem (CID 58334975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).