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

C22H20BrF2N3O3 — CID 22050426

IUPAC2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(CNC(=O)CN)c1
InChIInChI=1S/C22H20BrF2N3O3/c1-13-7-19(31-12-15-5-6-16(24)9-18(15)25)21(23)22(30)28(13)17-4-2-3-14(8-17)11-27-20(29)10-26/h2-9H,10-12,26H2,1H3,(H,27,29)
InChIKeyMNWSLSMYDZPEOK-UHFFFAOYSA-N
MW492.32 g/mol
LogP3.34
Rot. Bonds7

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

2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide (PubChem CID 22050426) has the molecular formula C22H20BrF2N3O3 and a molecular weight of 492.32 g/mol. Its IUPAC name is 2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide
PubChem CID22050426
Molecular FormulaC22H20BrF2N3O3
Molecular Weight492.32 g/mol
Exact Mass491.07
IUPAC Name2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(CNC(=O)CN)c1
InChIInChI=1S/C22H20BrF2N3O3/c1-13-7-19(31-12-15-5-6-16(24)9-18(15)25)21(23)22(30)28(13)17-4-2-3-14(8-17)11-27-20(29)10-26/h2-9H,10-12,26H2,1H3,(H,27,29)
InChIKeyMNWSLSMYDZPEOK-UHFFFAOYSA-N
XLogP3.34
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide (CID 22050426) is 2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(CNC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide?
The InChIKey is MNWSLSMYDZPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrF2N3O3/c1-13-7-19(31-12-15-5-6-16(24)9-18(15)25)21(23)22(30)28(13)17-4-2-3-14(8-17)11-27-20(29)10-26/h2-9H,10-12,26H2,1H3,(H,27,29).
What are the key properties of 2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide?
2-amino-N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide has a molecular weight of 492.32 g/mol, XLogP of 3.34, 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-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]acetamide is sourced from PubChem (CID 22050426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).