methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate

C24H32F3N3O3 — CID 170012978

IUPACmethyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)N(C)C1(C)CC(C(=O)N2CCC3(CC2)CC(c2nc(C(F)(F)F)ccc2C)C3)C1
InChIInChI=1S/C24H32F3N3O3/c1-15-5-6-18(24(25,26)27)28-19(15)16-13-23(14-16)7-9-30(10-8-23)20(31)17-11-22(2,12-17)29(3)21(32)33-4/h5-6,16-17H,7-14H2,1-4H3
InChIKeyVJIRNOZKGCCRHQ-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.76
Rot. Bonds3

About methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate

methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate (PubChem CID 170012978) has the molecular formula C24H32F3N3O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
PubChem CID170012978
Molecular FormulaC24H32F3N3O3
Molecular Weight467.53 g/mol
Exact Mass467.24
IUPAC Namemethyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)N(C)C1(C)CC(C(=O)N2CCC3(CC2)CC(c2nc(C(F)(F)F)ccc2C)C3)C1
InChIInChI=1S/C24H32F3N3O3/c1-15-5-6-18(24(25,26)27)28-19(15)16-13-23(14-16)7-9-30(10-8-23)20(31)17-11-22(2,12-17)29(3)21(32)33-4/h5-6,16-17H,7-14H2,1-4H3
InChIKeyVJIRNOZKGCCRHQ-UHFFFAOYSA-N
XLogP4.76
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
The IUPAC name of methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate (CID 170012978) is methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate is COC(=O)N(C)C1(C)CC(C(=O)N2CCC3(CC2)CC(c2nc(C(F)(F)F)ccc2C)C3)C1.
What is the InChIKey of methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
The InChIKey is VJIRNOZKGCCRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O3/c1-15-5-6-18(24(25,26)27)28-19(15)16-13-23(14-16)7-9-30(10-8-23)20(31)17-11-22(2,12-17)29(3)21(32)33-4/h5-6,16-17H,7-14H2,1-4H3.
What are the key properties of methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate has a molecular weight of 467.53 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate is sourced from PubChem (CID 170012978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).