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

C19H21F3N4O3 — CID 118326051

IUPAC2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCC[C@@H]1Nc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C19H21F3N4O3/c1-28-14-7-4-8-15(29-2)16(14)17(27)25-12-5-3-6-13(12)26-18-23-9-11(10-24-18)19(20,21)22/h4,7-10,12-13H,3,5-6H2,1-2H3,(H,25,27)(H,23,24,26)/t12?,13-/m0/s1
InChIKeyVCKAHUHZSCQPDV-ABLWVSNPSA-N
MW410.40 g/mol
LogP3.28
Rot. Bonds6

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

2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide (PubChem CID 118326051) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide
PubChem CID118326051
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCC[C@@H]1Nc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C19H21F3N4O3/c1-28-14-7-4-8-15(29-2)16(14)17(27)25-12-5-3-6-13(12)26-18-23-9-11(10-24-18)19(20,21)22/h4,7-10,12-13H,3,5-6H2,1-2H3,(H,25,27)(H,23,24,26)/t12?,13-/m0/s1
InChIKeyVCKAHUHZSCQPDV-ABLWVSNPSA-N
XLogP3.28
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118326054
2,6-dimethoxy-N-[(1R)-2-(quinoxalin-2-ylamino)cyclopentyl]benzamide
CID 144829887
N-cyclobutyl-2,6-dimethoxy-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118308181
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
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
N-[2-(cyclopentylamino)cyclopentyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 162115292
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
N-(2-cyanocyclopentyl)-2,6-dimethoxybenzamide
CID 62960890
N-[(1R,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide
CID 122438867
N-[(1S,2R)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2,6-dimethoxybenzamide
CID 122438818

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide (CID 118326051) is 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide is COc1cccc(OC)c1C(=O)NC1CCC[C@@H]1Nc1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide?
The InChIKey is VCKAHUHZSCQPDV-ABLWVSNPSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-28-14-7-4-8-15(29-2)16(14)17(27)25-12-5-3-6-13(12)26-18-23-9-11(10-24-18)19(20,21)22/h4,7-10,12-13H,3,5-6H2,1-2H3,(H,25,27)(H,23,24,26)/t12?,13-/m0/s1.
What are the key properties of 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide?
2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide has a molecular weight of 410.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 118326051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).