N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide

C22H21FN2O3 — CID 123128943

IUPACN-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide
SMILESCc1cc(=O)c(OCc2ccccc2)c(CNC(=O)c2ccc(F)cc2)n1C
InChIInChI=1S/C22H21FN2O3/c1-15-12-20(26)21(28-14-16-6-4-3-5-7-16)19(25(15)2)13-24-22(27)17-8-10-18(23)11-9-17/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyQSDVGAYIYNIWEV-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.34
Rot. Bonds6

About N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide

N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide (PubChem CID 123128943) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide
PubChem CID123128943
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide
SMILESCc1cc(=O)c(OCc2ccccc2)c(CNC(=O)c2ccc(F)cc2)n1C
InChIInChI=1S/C22H21FN2O3/c1-15-12-20(26)21(28-14-16-6-4-3-5-7-16)19(25(15)2)13-24-22(27)17-8-10-18(23)11-9-17/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyQSDVGAYIYNIWEV-UHFFFAOYSA-N
XLogP3.34
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzamide
CID 11305782
3-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzamide
CID 11431185
4-((3-chloro-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)-N,N-dimethylbenzamide
CID 22050379
3-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)-N,N-dimethylbenzamide
CID 22050440
4-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)-N,N-dimethylbenzamide
CID 22050449
benzyl N-[2-(benzoylamino)-3-(4-fluorophenyl)acryloyl]glycinate
CID 5730275
1-[4-(Benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162666832
AChE/BChE-IN-8
CID 162671445
4-[(Z)-2-Benzoylamino-3-(4-fluoro-phenyl)-acryloylamino]-butyric acid benzyl ester
CID 12005592
2-((3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-oxopyridin-1(2H)-yl)methyl)benzamide
CID 11397096
3-(benzyloxy)-1-(4-fluorobenzyl)-2-methyl-4(1H)-pyridinone
CID 3623031
Benzyl 4-{[2-(benzoylamino)-3-(2-fluorophenyl)acryloyl]amino}butanoate
CID 5723267

Frequently Asked Questions

What is the IUPAC name of N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide (CID 123128943) is N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide is Cc1cc(=O)c(OCc2ccccc2)c(CNC(=O)c2ccc(F)cc2)n1C.
What is the InChIKey of N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide?
The InChIKey is QSDVGAYIYNIWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-15-12-20(26)21(28-14-16-6-4-3-5-7-16)19(25(15)2)13-24-22(27)17-8-10-18(23)11-9-17/h3-12H,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide?
N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide has a molecular weight of 380.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,6-dimethyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 123128943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).