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

C19H23BN2O3 — CID 140927802

IUPAC5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1
InChIInChI=1S/C19H23BN2O3/c1-13-9-14(12-21-11-13)17(23)22-16-8-6-7-15(10-16)20-24-18(2,3)19(4,5)25-20/h6-12H,1-5H3,(H,22,23)
InChIKeyLNEPTMWFURCIDR-UHFFFAOYSA-N
MW338.22 g/mol
LogP2.94
Rot. Bonds3

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

5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 140927802) has the molecular formula C19H23BN2O3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID140927802
Molecular FormulaC19H23BN2O3
Molecular Weight338.22 g/mol
Exact Mass338.18
IUPAC Name5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1
InChIInChI=1S/C19H23BN2O3/c1-13-9-14(12-21-11-13)17(23)22-16-8-6-7-15(10-16)20-24-18(2,3)19(4,5)25-20/h6-12H,1-5H3,(H,22,23)
InChIKeyLNEPTMWFURCIDR-UHFFFAOYSA-N
XLogP2.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 52.94
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-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
CID 139592753
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-triazole-4-carboxamide
CID 164648639
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide
CID 177477440
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide
CID 77072600
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]hydroxylamine
CID 59321108
N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 57415689
methyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoylamino]benzoate
CID 156594455
3-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutane-1-carboxamide
CID 164652384
N-(3-morpholin-4-ylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 67061305
5-hydroxy-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63865627
3-amino-2,2-difluoro-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CID 59321175

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide (CID 140927802) is 5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1.
What is the InChIKey of 5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is LNEPTMWFURCIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BN2O3/c1-13-9-14(12-21-11-13)17(23)22-16-8-6-7-15(10-16)20-24-18(2,3)19(4,5)25-20/h6-12H,1-5H3,(H,22,23).
What are the key properties of 5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide?
5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 338.22 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 140927802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).