N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide

C24H27F2N3O3 — CID 167456289

IUPACN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C(C)C)CC(N3CCC3=O)C2)c(OC(F)F)n1
InChIInChI=1S/C24H27F2N3O3/c1-14(2)17-6-4-5-7-18(17)24(12-16(13-24)29-11-10-20(29)30)22(31)28-19-9-8-15(3)27-21(19)32-23(25)26/h4-9,14,16,23H,10-13H2,1-3H3,(H,28,31)
InChIKeyVTHPDSCKAVVNNY-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.39
Rot. Bonds7

About N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide

N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide (PubChem CID 167456289) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
PubChem CID167456289
Molecular FormulaC24H27F2N3O3
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC NameN-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C(C)C)CC(N3CCC3=O)C2)c(OC(F)F)n1
InChIInChI=1S/C24H27F2N3O3/c1-14(2)17-6-4-5-7-18(17)24(12-16(13-24)29-11-10-20(29)30)22(31)28-19-9-8-15(3)27-21(19)32-23(25)26/h4-9,14,16,23H,10-13H2,1-3H3,(H,28,31)
InChIKeyVTHPDSCKAVVNNY-UHFFFAOYSA-N
XLogP4.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-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

[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl] methanesulfonate
CID 167456277
ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate
CID 167456389
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide
CID 146265693
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456118
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[2-(methylamino)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 166512830
[1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 146265906
cis-(1S,2R)-2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146265739
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265685
3-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2,2-dimethylpropanoic acid
CID 166512726
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[2-(1-hydroxycyclopropyl)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265782
1-[(2S)-3-amino-2-hydroxypropyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265857
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(3-sulfamoylbutanoyl)azetidine-3-carboxamide
CID 175086364

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide (CID 167456289) is N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccccc3C(C)C)CC(N3CCC3=O)C2)c(OC(F)F)n1.
What is the InChIKey of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?
The InChIKey is VTHPDSCKAVVNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-14(2)17-6-4-5-7-18(17)24(12-16(13-24)29-11-10-20(29)30)22(31)28-19-9-8-15(3)27-21(19)32-23(25)26/h4-9,14,16,23H,10-13H2,1-3H3,(H,28,31).
What are the key properties of N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-oxoazetidin-1-yl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 167456289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).