N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide

C24H24BFN2O4 — CID 140810623

IUPACN-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCC1(C)OB(c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2F)OC1(C)C
InChIInChI=1S/C24H24BFN2O4/c1-23(2)24(3,4)32-25(31-23)19-13-12-16(15-20(19)26)27-21(29)18-11-8-14-28(22(18)30)17-9-6-5-7-10-17/h5-15H,1-4H3,(H,27,29)
InChIKeyBHIAHWRMLPHEEN-UHFFFAOYSA-N
MW434.28 g/mol
LogP3.53
Rot. Bonds4

About N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide

N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 140810623) has the molecular formula C24H24BFN2O4 and a molecular weight of 434.28 g/mol. Its IUPAC name is N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID140810623
Molecular FormulaC24H24BFN2O4
Molecular Weight434.28 g/mol
Exact Mass434.18
IUPAC NameN-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCC1(C)OB(c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2F)OC1(C)C
InChIInChI=1S/C24H24BFN2O4/c1-23(2)24(3,4)32-25(31-23)19-13-12-16(15-20(19)26)27-21(29)18-11-8-14-28(22(18)30)17-9-6-5-7-10-17/h5-15H,1-4H3,(H,27,29)
InChIKeyBHIAHWRMLPHEEN-UHFFFAOYSA-N
XLogP3.53
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 53.53
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

1-[4-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 53119471
N-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 143596637
1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 171392953
N-butyl-1-[4-[(2-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119465
[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-phenylmethanone
CID 66915680
1-cyclopropyl-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 66679229
1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
CID 118203931
1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
CID 118197847
1-(4-acetamidophenyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 20974500
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 66968949
N-[4-(6-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 11618648
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide
CID 53119353

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide (CID 140810623) is N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide is CC1(C)OB(c2ccc(NC(=O)c3cccn(-c4ccccc4)c3=O)cc2F)OC1(C)C.
What is the InChIKey of N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is BHIAHWRMLPHEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BFN2O4/c1-23(2)24(3,4)32-25(31-23)19-13-12-16(15-20(19)26)27-21(29)18-11-8-14-28(22(18)30)17-9-6-5-7-10-17/h5-15H,1-4H3,(H,27,29).
What are the key properties of N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 434.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 140810623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).