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

C14H22BN3O3 — CID 131552920

IUPACN-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide
SMILESCNC(=O)CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)10-6-7-11(17-8-10)18-9-12(19)16-5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyIRZPFUAOLYVIRX-UHFFFAOYSA-N
MW291.16 g/mol
LogP0.54
Rot. Bonds4

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

N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide (PubChem CID 131552920) has the molecular formula C14H22BN3O3 and a molecular weight of 291.16 g/mol. Its IUPAC name is N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide
PubChem CID131552920
Molecular FormulaC14H22BN3O3
Molecular Weight291.16 g/mol
Exact Mass291.18
IUPAC NameN-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide
SMILESCNC(=O)CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)10-6-7-11(17-8-10)18-9-12(19)16-5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyIRZPFUAOLYVIRX-UHFFFAOYSA-N
XLogP0.54
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide?
The IUPAC name of N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide (CID 131552920) is N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide is CNC(=O)CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.
What is the InChIKey of N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide?
The InChIKey is IRZPFUAOLYVIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)10-6-7-11(17-8-10)18-9-12(19)16-5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18).
What are the key properties of N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide?
N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide has a molecular weight of 291.16 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 131552920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).