2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide

C22H19ClF3N3O3 — CID 21035302

IUPAC2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cc(CNC(=O)CN)ccc1F
InChIInChI=1S/C22H19ClF3N3O3/c1-12-6-19(32-11-14-3-4-15(24)8-17(14)26)21(23)22(31)29(12)18-7-13(2-5-16(18)25)10-28-20(30)9-27/h2-8H,9-11,27H2,1H3,(H,28,30)
InChIKeyLPSADOWSLIINHI-UHFFFAOYSA-N
MW465.86 g/mol
LogP3.37
Rot. Bonds7

About 2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide

2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide (PubChem CID 21035302) has the molecular formula C22H19ClF3N3O3 and a molecular weight of 465.86 g/mol. Its IUPAC name is 2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide
PubChem CID21035302
Molecular FormulaC22H19ClF3N3O3
Molecular Weight465.86 g/mol
Exact Mass465.11
IUPAC Name2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cc(CNC(=O)CN)ccc1F
InChIInChI=1S/C22H19ClF3N3O3/c1-12-6-19(32-11-14-3-4-15(24)8-17(14)26)21(23)22(31)29(12)18-7-13(2-5-16(18)25)10-28-20(30)9-27/h2-8H,9-11,27H2,1H3,(H,28,30)
InChIKeyLPSADOWSLIINHI-UHFFFAOYSA-N
XLogP3.37
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
CID 16008124
N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide
CID 22049888
3-bromo-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-[(dimethylamino)methyl]pyridin-2(1H)-one
CID 22050098
3-chloro-4-[(2,4-difluorobenzyl)oxy]-1-(2,6-difluorophenyl)-6-methylpyridin-2(1H)-one
CID 22050346
[3-[3-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methylurea
CID 22050354
1-[4-(Aminomethyl)phenyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050423
2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide
CID 22050426
3-Chloro-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-[(dimethylamino)methyl]pyridin-2-one
CID 22050760
3-Chloro-1-[2,6-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050837
1-[3-(aminomethyl)phenyl]-3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22051179
4-(Benzyloxy)-1-(4-{[2-(diethylamino)ethyl]amino}phenyl)pyridin-2(1H)-one
CID 53318594
1-{4-[[2-(Diethylamino)ethyl](methyl)amino]phenyl}-4-(benzyloxy)-pyridin-2(1H)-one
CID 53318595

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide (CID 21035302) is 2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide is Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1cc(CNC(=O)CN)ccc1F.
What is the InChIKey of 2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide?
The InChIKey is LPSADOWSLIINHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3/c1-12-6-19(32-11-14-3-4-15(24)8-17(14)26)21(23)22(31)29(12)18-7-13(2-5-16(18)25)10-28-20(30)9-27/h2-8H,9-11,27H2,1H3,(H,28,30).
What are the key properties of 2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide?
2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide has a molecular weight of 465.86 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]acetamide is sourced from PubChem (CID 21035302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).