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

C20H22F3N3O3 — CID 118326054

IUPAC2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H22F3N3O3/c1-28-15-7-4-8-16(29-2)18(15)19(27)26-14-6-3-5-13(14)25-17-10-9-12(11-24-17)20(21,22)23/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,24,25)(H,26,27)/t13-,14?/m0/s1
InChIKeyYHPRZUWLSLAIRG-LSLKUGRBSA-N
MW409.41 g/mol
LogP3.88
Rot. Bonds6

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

2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide (PubChem CID 118326054) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
PubChem CID118326054
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H22F3N3O3/c1-28-15-7-4-8-16(29-2)18(15)19(27)26-14-6-3-5-13(14)25-17-10-9-12(11-24-17)20(21,22)23/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,24,25)(H,26,27)/t13-,14?/m0/s1
InChIKeyYHPRZUWLSLAIRG-LSLKUGRBSA-N
XLogP3.88
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide
CID 118326051
N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118308181
2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
CID 144829887
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118308053
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
(3-fluoro-2-methoxyphenyl)-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 90405402
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide
CID 62960890
N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 103804882

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide (CID 118326054) is 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide is COc1cccc(OC)c1C(=O)NC1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
The InChIKey is YHPRZUWLSLAIRG-LSLKUGRBSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-28-15-7-4-8-16(29-2)18(15)19(27)26-14-6-3-5-13(14)25-17-10-9-12(11-24-17)20(21,22)23/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,24,25)(H,26,27)/t13-,14?/m0/s1.
What are the key properties of 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide?
2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide has a molecular weight of 409.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 118326054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).