5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide

C19H21FN2O3 — CID 146352020

IUPAC5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(OC3CCC3)ccc2F)c(=O)[nH]1
InChIInChI=1S/C19H21FN2O3/c1-11-8-12(2)22-19(24)16(11)10-21-18(23)15-9-14(6-7-17(15)20)25-13-4-3-5-13/h6-9,13H,3-5,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWFJREWLDXCSOIC-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.99
Rot. Bonds5

About 5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide

5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide (PubChem CID 146352020) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide
PubChem CID146352020
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(OC3CCC3)ccc2F)c(=O)[nH]1
InChIInChI=1S/C19H21FN2O3/c1-11-8-12(2)22-19(24)16(11)10-21-18(23)15-9-14(6-7-17(15)20)25-13-4-3-5-13/h6-9,13H,3-5,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWFJREWLDXCSOIC-UHFFFAOYSA-N
XLogP2.99
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83626481
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 140752518
5-chloro-3-[cyclopentylmethyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90150984
5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 123433935
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(hydroxymethyl)-4-methylthiophene-3-carboxamide
CID 137383779
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39994530
cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95976062
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)benzamide
CID 70913266
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 86763480
7-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1H-quinoline-5-carboxamide
CID 164522603
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
CID 90150987

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide?
The IUPAC name of 5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide (CID 146352020) is 5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide is Cc1cc(C)c(CNC(=O)c2cc(OC3CCC3)ccc2F)c(=O)[nH]1.
What is the InChIKey of 5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide?
The InChIKey is WFJREWLDXCSOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-11-8-12(2)22-19(24)16(11)10-21-18(23)15-9-14(6-7-17(15)20)25-13-4-3-5-13/h6-9,13H,3-5,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide?
5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide has a molecular weight of 344.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyloxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 146352020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).