N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide

C15H21BN2O3 — CID 74890231

IUPACN-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)nc1
InChIInChI=1S/C15H21BN2O3/c1-14(2)15(3,4)21-16(20-14)9-8-12-7-6-11(10-18-12)13(19)17-5/h6-10H,1-5H3,(H,17,19)/b9-8+
InChIKeyPISMZOHPPKIWGI-CMDGGOBGSA-N
MW288.16 g/mol
LogP2.09
Rot. Bonds3

About N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide

N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide (PubChem CID 74890231) has the molecular formula C15H21BN2O3 and a molecular weight of 288.16 g/mol. Its IUPAC name is N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide
PubChem CID74890231
Molecular FormulaC15H21BN2O3
Molecular Weight288.16 g/mol
Exact Mass288.16
IUPAC NameN-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)nc1
InChIInChI=1S/C15H21BN2O3/c1-14(2)15(3,4)21-16(20-14)9-8-12-7-6-11(10-18-12)13(19)17-5/h6-10H,1-5H3,(H,17,19)/b9-8+
InChIKeyPISMZOHPPKIWGI-CMDGGOBGSA-N
XLogP2.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.09
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-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide (CID 74890231) is N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide is CNC(=O)c1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)nc1.
What is the InChIKey of N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide?
The InChIKey is PISMZOHPPKIWGI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H21BN2O3/c1-14(2)15(3,4)21-16(20-14)9-8-12-7-6-11(10-18-12)13(19)17-5/h6-10H,1-5H3,(H,17,19)/b9-8+.
What are the key properties of N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide?
N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide has a molecular weight of 288.16 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide is sourced from PubChem (CID 74890231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).