N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide

C23H20F3N3O2 — CID 167701771

IUPACN-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)nc2)c(F)c1F
InChIInChI=1S/C23H20F3N3O2/c1-3-20(31)29(2)18-10-8-16(21(24)22(18)25)15-6-9-17(28-13-15)19(30)11-7-14-5-4-12-27-23(14)26/h4-6,8-10,12-13H,3,7,11H2,1-2H3
InChIKeyYCQTXEUYKYUAOI-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.75
Rot. Bonds7

About N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide

N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167701771) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
PubChem CID167701771
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC NameN-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)nc2)c(F)c1F
InChIInChI=1S/C23H20F3N3O2/c1-3-20(31)29(2)18-10-8-16(21(24)22(18)25)15-6-9-17(28-13-15)19(30)11-7-14-5-4-12-27-23(14)26/h4-6,8-10,12-13H,3,7,11H2,1-2H3
InChIKeyYCQTXEUYKYUAOI-UHFFFAOYSA-N
XLogP4.75
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167556264
N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide
CID 167556265
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167586057
N-[3-chloro-4-[6-[3-(2-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167574705
N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167662284
N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide
CID 167700140
N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167705958
N-[2-chloro-4-[6-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167638558
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167688608
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
CID 167571065
N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
CID 167606300
N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167703189

Frequently Asked Questions

What is the IUPAC name of N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide (CID 167701771) is N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)nc2)c(F)c1F.
What is the InChIKey of N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The InChIKey is YCQTXEUYKYUAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c1-3-20(31)29(2)18-10-8-16(21(24)22(18)25)15-6-9-17(28-13-15)19(30)11-7-14-5-4-12-27-23(14)26/h4-6,8-10,12-13H,3,7,11H2,1-2H3.
What are the key properties of N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 427.43 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167701771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).