1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C22H24BNO3 — CID 140931483

IUPAC1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCC1(C)OB(c2ccc(=O)n(Cc3ccc4ccccc4c3)c2)OC1(C)C
InChIInChI=1S/C22H24BNO3/c1-21(2)22(3,4)27-23(26-21)19-11-12-20(25)24(15-19)14-16-9-10-17-7-5-6-8-18(17)13-16/h5-13,15H,14H2,1-4H3
InChIKeyQKLVTDTWKAQYNX-UHFFFAOYSA-N
MW361.25 g/mol
LogP3.35
Rot. Bonds3

About 1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 140931483) has the molecular formula C22H24BNO3 and a molecular weight of 361.25 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
PubChem CID140931483
Molecular FormulaC22H24BNO3
Molecular Weight361.25 g/mol
Exact Mass361.18
IUPAC Name1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCC1(C)OB(c2ccc(=O)n(Cc3ccc4ccccc4c3)c2)OC1(C)C
InChIInChI=1S/C22H24BNO3/c1-21(2)22(3,4)27-23(26-21)19-11-12-20(25)24(15-19)14-16-9-10-17-7-5-6-8-18(17)13-16/h5-13,15H,14H2,1-4H3
InChIKeyQKLVTDTWKAQYNX-UHFFFAOYSA-N
XLogP3.35
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane
CID 90065843
1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;6-bromo-3-pyridin-4-yl-1H-indazole
CID 159298300
4-hydroxy-3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazol-2-one
CID 123776067
N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide
CID 140931457
3-[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]-N-propan-2-ylpropanamide
CID 147414331
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 170985682
methyl 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzoate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 160955964
benzyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]acetate
CID 58195019
4,4,5,5-tetramethyl-2-(3-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 164886110
4,4,5,5-tetramethyl-2-[4-(2-phenylethyl)phenyl]-1,3,2-dioxaborolane
CID 102447774
4,4,5,5-tetramethyl-2-(8-naphthalen-1-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 176598706
3,3-difluoro-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]azetidine
CID 68571995

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The IUPAC name of 1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 140931483) is 1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is CC1(C)OB(c2ccc(=O)n(Cc3ccc4ccccc4c3)c2)OC1(C)C.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The InChIKey is QKLVTDTWKAQYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BNO3/c1-21(2)22(3,4)27-23(26-21)19-11-12-20(25)24(15-19)14-16-9-10-17-7-5-6-8-18(17)13-16/h5-13,15H,14H2,1-4H3.
What are the key properties of 1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 361.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 140931483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).