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

C26H32F3N3O2 — CID 176931048

IUPAC1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide
SMILESCc1cc(OCc2cc(C(F)(F)F)c(C3CCCC3)cn2)ccc1CN1CC(C(=O)N(C)C)C1
InChIInChI=1S/C26H32F3N3O2/c1-17-10-22(9-8-19(17)13-32-14-20(15-32)25(33)31(2)3)34-16-21-11-24(26(27,28)29)23(12-30-21)18-6-4-5-7-18/h8-12,18,20H,4-7,13-16H2,1-3H3
InChIKeyKWXHXRWFQOOXSF-UHFFFAOYSA-N
MW475.56 g/mol
LogP5.17
Rot. Bonds7

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

1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide (PubChem CID 176931048) has the molecular formula C26H32F3N3O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is 1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide
PubChem CID176931048
Molecular FormulaC26H32F3N3O2
Molecular Weight475.56 g/mol
Exact Mass475.24
IUPAC Name1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide
SMILESCc1cc(OCc2cc(C(F)(F)F)c(C3CCCC3)cn2)ccc1CN1CC(C(=O)N(C)C)C1
InChIInChI=1S/C26H32F3N3O2/c1-17-10-22(9-8-19(17)13-32-14-20(15-32)25(33)31(2)3)34-16-21-11-24(26(27,28)29)23(12-30-21)18-6-4-5-7-18/h8-12,18,20H,4-7,13-16H2,1-3H3
InChIKeyKWXHXRWFQOOXSF-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[[4-[[5-cyclohexyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide
CID 176929935
1-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929966
1-[[4-[[4-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929943
1-[[4-[(3,5-dichlorophenyl)methoxy]-2-methylphenyl]methyl]azetidine-3-carboxylic acid
CID 176930198
1-[[4-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methyl]azetidine-3-carboxylic acid
CID 146669400
1-[[4-[[5-cyclobutyl-6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930338
1-[[4-[[4-cyclopropyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930404
1-[[4-[(5-cyano-3-pyridinyl)methoxy]-2-methylphenyl]methyl]azetidine-3-carboxylic acid
CID 176929892
1-[[4-[[5-cyclobutyl-6-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930438
1-[[2,6-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930184
N-methyl-1-[[4-[[5-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930457
1-[[6-[[4-cyano-5-(trifluoromethyl)-2-pyridinyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 176999848

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide?
The IUPAC name of 1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide (CID 176931048) is 1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide?
The canonical SMILES for 1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide is Cc1cc(OCc2cc(C(F)(F)F)c(C3CCCC3)cn2)ccc1CN1CC(C(=O)N(C)C)C1.
What is the InChIKey of 1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide?
The InChIKey is KWXHXRWFQOOXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O2/c1-17-10-22(9-8-19(17)13-32-14-20(15-32)25(33)31(2)3)34-16-21-11-24(26(27,28)29)23(12-30-21)18-6-4-5-7-18/h8-12,18,20H,4-7,13-16H2,1-3H3.
What are the key properties of 1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide?
1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide has a molecular weight of 475.56 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[5-cyclopentyl-4-(trifluoromethyl)-2-pyridinyl]methoxy]-2-methylphenyl]methyl]-N,N-dimethylazetidine-3-carboxamide is sourced from PubChem (CID 176931048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).