1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide

C24H29F2N3O4 — CID 167456210

IUPAC1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3C(C)C)CCC(C(N)=O)CC2)c(OC(F)F)n1
InChIInChI=1S/C24H29F2N3O4/c1-14(2)16-6-4-5-7-17(16)24(12-10-15(11-13-24)20(27)30)22(31)28-18-8-9-19(32-3)29-21(18)33-23(25)26/h4-9,14-15,23H,10-13H2,1-3H3,(H2,27,30)(H,28,31)
InChIKeyHTNXGOIAJQPPCL-UHFFFAOYSA-N
MW461.51 g/mol
LogP4.37
Rot. Bonds8

About 1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide

1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 167456210) has the molecular formula C24H29F2N3O4 and a molecular weight of 461.51 g/mol. Its IUPAC name is 1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID167456210
Molecular FormulaC24H29F2N3O4
Molecular Weight461.51 g/mol
Exact Mass461.21
IUPAC Name1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3C(C)C)CCC(C(N)=O)CC2)c(OC(F)F)n1
InChIInChI=1S/C24H29F2N3O4/c1-14(2)16-6-4-5-7-17(16)24(12-10-15(11-13-24)20(27)30)22(31)28-18-8-9-19(32-3)29-21(18)33-23(25)26/h4-9,14-15,23H,10-13H2,1-3H3,(H2,27,30)(H,28,31)
InChIKeyHTNXGOIAJQPPCL-UHFFFAOYSA-N
XLogP4.37
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-4-(2-propan-2-ylphenyl)cyclohexane-1-sulfinic acid
CID 167456151
3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 175840291
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456118
N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 167456140
3-[(2,6-dimethoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylic acid
CID 175090918
ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate
CID 167456389
tert-butyl 3-[(2,6-dimethoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylate
CID 146265796
[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl] methanesulfonate
CID 167456277
N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide
CID 167456311
3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(4-methylcyclohexyl)-1-(2-propan-2-ylphenyl)urea
CID 167457161
3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1-(2-propan-2-ylphenyl)urea
CID 167456586
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide
CID 146265693

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide (CID 167456210) is 1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide is COc1ccc(NC(=O)C2(c3ccccc3C(C)C)CCC(C(N)=O)CC2)c(OC(F)F)n1.
What is the InChIKey of 1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is HTNXGOIAJQPPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O4/c1-14(2)16-6-4-5-7-17(16)24(12-10-15(11-13-24)20(27)30)22(31)28-18-8-9-19(32-3)29-21(18)33-23(25)26/h4-9,14-15,23H,10-13H2,1-3H3,(H2,27,30)(H,28,31).
What are the key properties of 1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 461.51 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 167456210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).