N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide

C24H28F3N3O3 — CID 118308181

IUPACN-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N(C1CCC1)[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H28F3N3O3/c1-32-19-10-5-11-20(33-2)22(19)23(31)30(16-6-3-7-16)18-9-4-8-17(18)29-21-13-12-15(14-28-21)24(25,26)27/h5,10-14,16-18H,3-4,6-9H2,1-2H3,(H,28,29)/t17-,18-/m0/s1
InChIKeyOAAWCCLGPWZUIA-ROUUACIJSA-N
MW463.50 g/mol
LogP5.15
Rot. Bonds7

About N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide

N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide (PubChem CID 118308181) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
PubChem CID118308181
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC NameN-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N(C1CCC1)[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H28F3N3O3/c1-32-19-10-5-11-20(33-2)22(19)23(31)30(16-6-3-7-16)18-9-4-8-17(18)29-21-13-12-15(14-28-21)24(25,26)27/h5,10-14,16-18H,3-4,6-9H2,1-2H3,(H,28,29)/t17-,18-/m0/s1
InChIKeyOAAWCCLGPWZUIA-ROUUACIJSA-N
XLogP5.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
The IUPAC name of N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide (CID 118308181) is N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide.
What is the SMILES notation for N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
The canonical SMILES for N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide is COc1cccc(OC)c1C(=O)N(C1CCC1)[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
The InChIKey is OAAWCCLGPWZUIA-ROUUACIJSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-32-19-10-5-11-20(33-2)22(19)23(31)30(16-6-3-7-16)18-9-4-8-17(18)29-21-13-12-15(14-28-21)24(25,26)27/h5,10-14,16-18H,3-4,6-9H2,1-2H3,(H,28,29)/t17-,18-/m0/s1.
What are the key properties of N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide has a molecular weight of 463.50 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 118308181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).