N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

C19H20BrF2N3O2 — CID 146265780

IUPACN-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
SMILESCC(C)c1ccccc1C1(C(=O)Nc2ncc(Br)cc2OC(F)F)CNC1
InChIInChI=1S/C19H20BrF2N3O2/c1-11(2)13-5-3-4-6-14(13)19(9-23-10-19)17(26)25-16-15(27-18(21)22)7-12(20)8-24-16/h3-8,11,18,23H,9-10H2,1-2H3,(H,24,25,26)
InChIKeyDLCSINRSOWLSSU-UHFFFAOYSA-N
MW440.29 g/mol
LogP4.05
Rot. Bonds6

About N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (PubChem CID 146265780) has the molecular formula C19H20BrF2N3O2 and a molecular weight of 440.29 g/mol. Its IUPAC name is N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
PubChem CID146265780
Molecular FormulaC19H20BrF2N3O2
Molecular Weight440.29 g/mol
Exact Mass439.07
IUPAC NameN-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
SMILESCC(C)c1ccccc1C1(C(=O)Nc2ncc(Br)cc2OC(F)F)CNC1
InChIInChI=1S/C19H20BrF2N3O2/c1-11(2)13-5-3-4-6-14(13)19(9-23-10-19)17(26)25-16-15(27-18(21)22)7-12(20)8-24-16/h3-8,11,18,23H,9-10H2,1-2H3,(H,24,25,26)
InChIKeyDLCSINRSOWLSSU-UHFFFAOYSA-N
XLogP4.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

cyclopropanecarbonyl 3-[[3-(difluoromethoxy)-5-methyl-2-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylate
CID 175090892
1-(1-acetylpiperidin-4-yl)-3-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-1-(3-propan-2-yl-2-pyridinyl)urea;ethane
CID 167456953
4-[3-[(5-bromo-3-methoxy-2-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 146265852
N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide
CID 167456311
3-(2-propan-2-ylphenyl)azetidine-3-carboxylic acid;hydrochloride
CID 146265887
N-[4-chloro-2-(difluoromethoxy)phenyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456360
N-(4-bromo-2-methoxyphenyl)-5-oxo-3-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 167456217
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456118
1-(5-cyanopyrimidin-2-yl)-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265749
1-(1-acetylazetidin-3-yl)-3-[5-chloro-3-(difluoromethoxy)-2-pyridinyl]-1-(2-propan-2-ylphenyl)urea
CID 167456656
tert-butyl 3-[(6-fluoro-4-methoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylate
CID 162720225
N-(6-chloro-4-methoxy-3-pyridinyl)-3,3-dimethyl-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 167456287

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The IUPAC name of N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (CID 146265780) is N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The canonical SMILES for N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is CC(C)c1ccccc1C1(C(=O)Nc2ncc(Br)cc2OC(F)F)CNC1.
What is the InChIKey of N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The InChIKey is DLCSINRSOWLSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF2N3O2/c1-11(2)13-5-3-4-6-14(13)19(9-23-10-19)17(26)25-16-15(27-18(21)22)7-12(20)8-24-16/h3-8,11,18,23H,9-10H2,1-2H3,(H,24,25,26).
What are the key properties of N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide has a molecular weight of 440.29 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-3-(difluoromethoxy)-2-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 146265780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).