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

C16H23BN2O3 — CID 74889423

IUPACN-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cncc(/C=C/B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C16H23BN2O3/c1-6-19-14(20)13-9-12(10-18-11-13)7-8-17-21-15(2,3)16(4,5)22-17/h7-11H,6H2,1-5H3,(H,19,20)/b8-7+
InChIKeyWSIUQUNYWDXMQF-BQYQJAHWSA-N
MW302.18 g/mol
LogP2.48
Rot. Bonds4

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

N-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide (PubChem CID 74889423) has the molecular formula C16H23BN2O3 and a molecular weight of 302.18 g/mol. Its IUPAC name is N-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide
PubChem CID74889423
Molecular FormulaC16H23BN2O3
Molecular Weight302.18 g/mol
Exact Mass302.18
IUPAC NameN-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cncc(/C=C/B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C16H23BN2O3/c1-6-19-14(20)13-9-12(10-18-11-13)7-8-17-21-15(2,3)16(4,5)22-17/h7-11H,6H2,1-5H3,(H,19,20)/b8-7+
InChIKeyWSIUQUNYWDXMQF-BQYQJAHWSA-N
XLogP2.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-2-carboxylic acid
CID 74888533
3-[(2S)-aziridin-2-yl]-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416728
2-chloro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 74789218
N-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 71113879
N-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide
CID 74890231
2-[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]acetic acid
CID 74789032
N-ethyl-4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 138985706
3-methyl-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazo[4,5-b]pyridine
CID 74890228
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-(trifluoromethyl)pyrimidine
CID 166595394
5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide
CID 169477771
3-[5-(3-methylsulfanylpropylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76996670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide (CID 74889423) is N-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide is CCNC(=O)c1cncc(/C=C/B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of N-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide?
The InChIKey is WSIUQUNYWDXMQF-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H23BN2O3/c1-6-19-14(20)13-9-12(10-18-11-13)7-8-17-21-15(2,3)16(4,5)22-17/h7-11H,6H2,1-5H3,(H,19,20)/b8-7+.
What are the key properties of N-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide?
N-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide has a molecular weight of 302.18 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-3-carboxamide is sourced from PubChem (CID 74889423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).