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

C16H26BN3O3 — CID 169024679

IUPACN-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C16H26BN3O3/c1-15(2)16(3,4)23-17(22-15)12-7-8-18-13(11-12)14(21)19-9-10-20(5)6/h7-8,11H,9-10H2,1-6H3,(H,19,21)
InChIKeyWSKZZWOZHKZQAB-UHFFFAOYSA-N
MW319.21 g/mol
LogP0.67
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide (PubChem CID 169024679) has the molecular formula C16H26BN3O3 and a molecular weight of 319.21 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
PubChem CID169024679
Molecular FormulaC16H26BN3O3
Molecular Weight319.21 g/mol
Exact Mass319.21
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C16H26BN3O3/c1-15(2)16(3,4)23-17(22-15)12-7-8-18-13(11-12)14(21)19-9-10-20(5)6/h7-8,11H,9-10H2,1-6H3,(H,19,21)
InChIKeyWSKZZWOZHKZQAB-UHFFFAOYSA-N
XLogP0.67
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 62154340
N-[3-(dimethylamino)propyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 2769538
4-(tert-butylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207144
2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride
CID 21141972
N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine
CID 71302193
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
4-(2-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207180
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109083611
N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109207121
N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109207165

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide (CID 169024679) is N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide is CN(C)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide?
The InChIKey is WSKZZWOZHKZQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BN3O3/c1-15(2)16(3,4)23-17(22-15)12-7-8-18-13(11-12)14(21)19-9-10-20(5)6/h7-8,11H,9-10H2,1-6H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide has a molecular weight of 319.21 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 169024679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).