1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide

C26H32F3N3O2 — CID 176929935

IUPAC1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(Cc2ccc(OCc3cc(C(F)(F)F)c(C4CCCCC4)cn3)cc2)C1
InChIInChI=1S/C26H32F3N3O2/c1-31(2)25(33)20-15-32(16-20)14-18-8-10-22(11-9-18)34-17-21-12-24(26(27,28)29)23(13-30-21)19-6-4-3-5-7-19/h8-13,19-20H,3-7,14-17H2,1-2H3
InChIKeyFGVVTDGNHGHEPA-UHFFFAOYSA-N
MW475.56 g/mol
LogP5.25
Rot. Bonds7

About 1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide

1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide (PubChem CID 176929935) has the molecular formula C26H32F3N3O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is 1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide
PubChem CID176929935
Molecular FormulaC26H32F3N3O2
Molecular Weight475.56 g/mol
Exact Mass475.24
IUPAC Name1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(Cc2ccc(OCc3cc(C(F)(F)F)c(C4CCCCC4)cn3)cc2)C1
InChIInChI=1S/C26H32F3N3O2/c1-31(2)25(33)20-15-32(16-20)14-18-8-10-22(11-9-18)34-17-21-12-24(26(27,28)29)23(13-30-21)19-6-4-3-5-7-19/h8-13,19-20H,3-7,14-17H2,1-2H3
InChIKeyFGVVTDGNHGHEPA-UHFFFAOYSA-N
XLogP5.25
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide with MolForge

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Related Compounds

1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide
CID 176931048
1-[[4-[[4-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929943
1-[[4-[[4-cyclopropyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930404
1-[[4-[[5-cyclobutyl-6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930338
1-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929966
1-[[4-[[5-cyclobutyl-6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930438
N-methyl-1-[[4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930457
1-[[4-[2-[4-cyclohexyl-3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930730
1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930466
1-[[4-[[4-(oxetan-3-yl)-3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176929998
N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 86869704
1-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methyl]azetidine-3-carboxylic acid
CID 22057731

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide?
The IUPAC name of 1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide (CID 176929935) is 1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide?
The canonical SMILES for 1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide is CN(C)C(=O)C1CN(Cc2ccc(OCc3cc(C(F)(F)F)c(C4CCCCC4)cn3)cc2)C1.
What is the InChIKey of 1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide?
The InChIKey is FGVVTDGNHGHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O2/c1-31(2)25(33)20-15-32(16-20)14-18-8-10-22(11-9-18)34-17-21-12-24(26(27,28)29)23(13-30-21)19-6-4-3-5-7-19/h8-13,19-20H,3-7,14-17H2,1-2H3.
What are the key properties of 1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide?
1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide has a molecular weight of 475.56 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide is sourced from PubChem (CID 176929935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).