N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide

C20H23FN2O2 — CID 91292292

IUPACN-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1CC(=O)CCc1ccccc1F
InChIInChI=1S/C20H23FN2O2/c1-20(2,3)23-19(25)16-8-6-12-22-18(16)13-15(24)11-10-14-7-4-5-9-17(14)21/h4-9,12H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyQFTPPIZJJDIXOZ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.49
Rot. Bonds6

About N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide

N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide (PubChem CID 91292292) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide
PubChem CID91292292
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1CC(=O)CCc1ccccc1F
InChIInChI=1S/C20H23FN2O2/c1-20(2,3)23-19(25)16-8-6-12-22-18(16)13-15(24)11-10-14-7-4-5-9-17(14)21/h4-9,12H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyQFTPPIZJJDIXOZ-UHFFFAOYSA-N
XLogP3.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
benzyl N-[(2R)-4-[3-(tert-butylcarbamoyl)-2-pyridinyl]-3-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate
CID 66639506
2-amino-N-tert-butylpyridine-3-carboxamide
CID 59768561
N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide
CID 70316855
2-[(2S,3R)-3-amino-4-(4-chloro-2,5-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 66638851
2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 72565306
tert-butyl N-[1-[3-(tert-butylcarbamoyl)-2-pyridinyl]-4-(5-chloro-2-fluorophenyl)-2-oxobutyl]carbamate
CID 66641450
3-(2-fluorophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 25342955
N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide
CID 14716816
2-(bromomethyl)-N-tert-butylbenzamide
CID 82110404
N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189494

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide (CID 91292292) is N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cccnc1CC(=O)CCc1ccccc1F.
What is the InChIKey of N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide?
The InChIKey is QFTPPIZJJDIXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-20(2,3)23-19(25)16-8-6-12-22-18(16)13-15(24)11-10-14-7-4-5-9-17(14)21/h4-9,12H,10-11,13H2,1-3H3,(H,23,25).
What are the key properties of N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide?
N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 91292292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).