N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide

C14H21BN2O4 — CID 75487227

IUPACN-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1cccnc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H21BN2O4/c1-13(2)14(3,4)21-15(20-13)11-10(8-7-9-16-11)12(18)17(5)19-6/h7-9H,1-6H3
InChIKeyGZAZMSYTIXESAK-UHFFFAOYSA-N
MW292.14 g/mol
LogP1.01
Rot. Bonds3

About N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide

N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide (PubChem CID 75487227) has the molecular formula C14H21BN2O4 and a molecular weight of 292.14 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
PubChem CID75487227
Molecular FormulaC14H21BN2O4
Molecular Weight292.14 g/mol
Exact Mass292.16
IUPAC NameN-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1cccnc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H21BN2O4/c1-13(2)14(3,4)21-15(20-13)11-10(8-7-9-16-11)12(18)17(5)19-6/h7-9H,1-6H3
InChIKeyGZAZMSYTIXESAK-UHFFFAOYSA-N
XLogP1.01
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide
CID 47142435
3-(difluoromethoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 131618120
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
1-N,1-N,3-N,3-N-tetra(propan-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxamide
CID 102082053
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl acetate
CID 162387085
N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide
CID 45099364
2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide
CID 158439697
methyl 2-[ethyl(methyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
CID 99771145
3-amino-2-hydroxy-N-methoxy-N-methylbenzamide
CID 58735961

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide (CID 75487227) is N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide is CON(C)C(=O)c1cccnc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide?
The InChIKey is GZAZMSYTIXESAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BN2O4/c1-13(2)14(3,4)21-15(20-13)11-10(8-7-9-16-11)12(18)17(5)19-6/h7-9H,1-6H3.
What are the key properties of N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide?
N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide has a molecular weight of 292.14 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 75487227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).