N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

C14H21BN2O3 — CID 76850024

IUPACN-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C14H21BN2O3/c1-9-7-12(17-10(2)18)16-8-11(9)15-19-13(3,4)14(5,6)20-15/h7-8H,1-6H3,(H,16,17,18)
InChIKeyJEZUSDTWWZRIEE-UHFFFAOYSA-N
MW276.14 g/mol
LogP1.65
Rot. Bonds2

About N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide

N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (PubChem CID 76850024) has the molecular formula C14H21BN2O3 and a molecular weight of 276.14 g/mol. Its IUPAC name is N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
PubChem CID76850024
Molecular FormulaC14H21BN2O3
Molecular Weight276.14 g/mol
Exact Mass276.16
IUPAC NameN-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C14H21BN2O3/c1-9-7-12(17-10(2)18)16-8-11(9)15-19-13(3,4)14(5,6)20-15/h7-8H,1-6H3,(H,16,17,18)
InChIKeyJEZUSDTWWZRIEE-UHFFFAOYSA-N
XLogP1.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide (CID 76850024) is N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cn1.
What is the InChIKey of N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
The InChIKey is JEZUSDTWWZRIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BN2O3/c1-9-7-12(17-10(2)18)16-8-11(9)15-19-13(3,4)14(5,6)20-15/h7-8H,1-6H3,(H,16,17,18).
What are the key properties of N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide?
N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide has a molecular weight of 276.14 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 76850024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).