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

C23H28F2N4O3 — CID 167456647

IUPAC2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide
SMILESCc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CC(CC(N)=O)C2)c(OC(F)F)n1
InChIInChI=1S/C23H28F2N4O3/c1-13(2)17-6-4-5-7-19(17)29(16-10-15(11-16)12-20(26)30)23(31)28-18-9-8-14(3)27-21(18)32-22(24)25/h4-9,13,15-16,22H,10-12H2,1-3H3,(H2,26,30)(H,28,31)
InChIKeyZWTMMRCJFRJDQI-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.81
Rot. Bonds8

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

2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide (PubChem CID 167456647) has the molecular formula C23H28F2N4O3 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide
PubChem CID167456647
Molecular FormulaC23H28F2N4O3
Molecular Weight446.50 g/mol
Exact Mass446.21
IUPAC Name2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide
SMILESCc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CC(CC(N)=O)C2)c(OC(F)F)n1
InChIInChI=1S/C23H28F2N4O3/c1-13(2)17-6-4-5-7-19(17)29(16-10-15(11-16)12-20(26)30)23(31)28-18-9-8-14(3)27-21(18)32-22(24)25/h4-9,13,15-16,22H,10-12H2,1-3H3,(H2,26,30)(H,28,31)
InChIKeyZWTMMRCJFRJDQI-UHFFFAOYSA-N
XLogP4.81
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide
CID 167456914
3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(oxetan-3-yl)-1-(2-propan-2-ylphenyl)urea;ethane
CID 167456530
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-(4-methylsulfonylcyclohexyl)-1-(2-propan-2-ylphenyl)urea
CID 167457190
3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(1-methylsulfonylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea
CID 171569522
ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate
CID 171569519
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-(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
1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide
CID 167456464
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 2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide?
The IUPAC name of 2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide (CID 167456647) is 2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide.
What is the SMILES notation for 2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide?
The canonical SMILES for 2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide is Cc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CC(CC(N)=O)C2)c(OC(F)F)n1.
What is the InChIKey of 2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide?
The InChIKey is ZWTMMRCJFRJDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O3/c1-13(2)17-6-4-5-7-19(17)29(16-10-15(11-16)12-20(26)30)23(31)28-18-9-8-14(3)27-21(18)32-22(24)25/h4-9,13,15-16,22H,10-12H2,1-3H3,(H2,26,30)(H,28,31).
What are the key properties of 2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide?
2-[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 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide is sourced from PubChem (CID 167456647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).