4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide

C18H21FN2O3 — CID 126808780

IUPAC4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide
SMILESCC(CC(=O)NCc1cc(=O)c(O)cn1C)Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2O3/c1-12(6-13-4-3-5-14(19)8-13)7-18(24)20-10-15-9-16(22)17(23)11-21(15)2/h3-5,8-9,11-12,23H,6-7,10H2,1-2H3,(H,20,24)
InChIKeyOSMLBASHLJCSFG-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.12
Rot. Bonds6

About 4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide

4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide (PubChem CID 126808780) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide
PubChem CID126808780
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide
SMILESCC(CC(=O)NCc1cc(=O)c(O)cn1C)Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2O3/c1-12(6-13-4-3-5-14(19)8-13)7-18(24)20-10-15-9-16(22)17(23)11-21(15)2/h3-5,8-9,11-12,23H,6-7,10H2,1-2H3,(H,20,24)
InChIKeyOSMLBASHLJCSFG-UHFFFAOYSA-N
XLogP2.12
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 111542772
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119408534
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119524696
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
CID 119464064
1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 119350665
N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 71984204

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide (CID 126808780) is 4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide is CC(CC(=O)NCc1cc(=O)c(O)cn1C)Cc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide?
The InChIKey is OSMLBASHLJCSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-12(6-13-4-3-5-14(19)8-13)7-18(24)20-10-15-9-16(22)17(23)11-21(15)2/h3-5,8-9,11-12,23H,6-7,10H2,1-2H3,(H,20,24).
What are the key properties of 4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide?
4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide has a molecular weight of 332.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 126808780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).