N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide

C23H28F2N4O3 — CID 167456914

IUPACN-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(N(C(=O)Nc2ccc(C)nc2OC(F)F)c2ccccc2C(C)C)C1
InChIInChI=1S/C23H28F2N4O3/c1-13(2)18-7-5-6-8-20(18)29(17-11-16(12-17)27-15(4)30)23(31)28-19-10-9-14(3)26-21(19)32-22(24)25/h5-10,13,16-17,22H,11-12H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyYGRGXHLHAZAFFR-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.82
Rot. Bonds7

About N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide

N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide (PubChem CID 167456914) has the molecular formula C23H28F2N4O3 and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide
PubChem CID167456914
Molecular FormulaC23H28F2N4O3
Molecular Weight446.50 g/mol
Exact Mass446.21
IUPAC NameN-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(N(C(=O)Nc2ccc(C)nc2OC(F)F)c2ccccc2C(C)C)C1
InChIInChI=1S/C23H28F2N4O3/c1-13(2)18-7-5-6-8-20(18)29(17-11-16(12-17)27-15(4)30)23(31)28-19-10-9-14(3)26-21(19)32-22(24)25/h5-10,13,16-17,22H,11-12H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyYGRGXHLHAZAFFR-UHFFFAOYSA-N
XLogP4.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide
CID 167456647
3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(oxetan-3-yl)-1-(2-propan-2-ylphenyl)urea;ethane
CID 167456530
3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(4-methylsulfonylcyclohexyl)-1-(2-propan-2-ylphenyl)urea
CID 167457190
acetaldehyde;3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)-1-(2-propan-2-ylphenyl)urea
CID 167457250
3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(1-methylsulfonylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea
CID 171569522
1-(azetidin-1-yl)ethanone;3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-methyl-1-(2-propan-2-ylphenyl)urea
CID 167456637
1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea
CID 167457101
2-[3-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]-2,2-difluoroacetic acid
CID 167456990
3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(4-methylcyclohexyl)-1-(2-propan-2-ylphenyl)urea
CID 167457161
1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide
CID 167456464
ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate
CID 171569519
5-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]spiro[2.3]hexane-2-carboxylic acid
CID 167456964

Frequently Asked Questions

What is the IUPAC name of N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide?
The IUPAC name of N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide (CID 167456914) is N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide is CC(=O)NC1CC(N(C(=O)Nc2ccc(C)nc2OC(F)F)c2ccccc2C(C)C)C1.
What is the InChIKey of N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide?
The InChIKey is YGRGXHLHAZAFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O3/c1-13(2)18-7-5-6-8-20(18)29(17-11-16(12-17)27-15(4)30)23(31)28-19-10-9-14(3)26-21(19)32-22(24)25/h5-10,13,16-17,22H,11-12H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide?
N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide has a molecular weight of 446.50 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide is sourced from PubChem (CID 167456914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).