1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea

C17H19F2N3O2 — CID 175861325

IUPAC1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea
SMILESCc1ccc(N(C(N)=O)c2ccccc2C(C)C)c(OC(F)F)n1
InChIInChI=1S/C17H19F2N3O2/c1-10(2)12-6-4-5-7-13(12)22(17(20)23)14-9-8-11(3)21-15(14)24-16(18)19/h4-10,16H,1-3H3,(H2,20,23)
InChIKeyRMMGRUJTWLVEKK-UHFFFAOYSA-N
MW335.35 g/mol
LogP4.33
Rot. Bonds5

About 1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea

1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea (PubChem CID 175861325) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea
PubChem CID175861325
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea
SMILESCc1ccc(N(C(N)=O)c2ccccc2C(C)C)c(OC(F)F)n1
InChIInChI=1S/C17H19F2N3O2/c1-10(2)12-6-4-5-7-13(12)22(17(20)23)14-9-8-11(3)21-15(14)24-16(18)19/h4-10,16H,1-3H3,(H2,20,23)
InChIKeyRMMGRUJTWLVEKK-UHFFFAOYSA-N
XLogP4.33
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide
CID 167456647
1-(azetidin-1-yl)ethanone;3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-methyl-1-(2-propan-2-ylphenyl)urea
CID 167456637
3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(oxetan-3-yl)-1-(2-propan-2-ylphenyl)urea;ethane
CID 167456530
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-(1-methylsulfonylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea
CID 171569522
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
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]-1-[2-(1-hydroxycyclopropyl)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265782
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456118
1-[(2S)-3-amino-2-hydroxypropyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265857
2-(difluoromethoxy)-6-methylpyridin-3-amine;hydrochloride
CID 153372099

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea (CID 175861325) is 1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea is Cc1ccc(N(C(N)=O)c2ccccc2C(C)C)c(OC(F)F)n1.
What is the InChIKey of 1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea?
The InChIKey is RMMGRUJTWLVEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-10(2)12-6-4-5-7-13(12)22(17(20)23)14-9-8-11(3)21-15(14)24-16(18)19/h4-10,16H,1-3H3,(H2,20,23).
What are the key properties of 1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea?
1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea has a molecular weight of 335.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 175861325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).