tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate

C16H21F4N3O2 — CID 154946470

IUPACtert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC[C@@H]1Nc1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C16H21F4N3O2/c1-15(2,3)25-14(24)23-12-6-4-5-11(12)22-13-10(17)7-9(8-21-13)16(18,19)20/h7-8,11-12H,4-6H2,1-3H3,(H,21,22)(H,23,24)/t11-,12?/m0/s1
InChIKeyDOYMSLNRSCJZML-PXYINDEMSA-N
MW363.36 g/mol
LogP4.10
Rot. Bonds3

About tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate

tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate (PubChem CID 154946470) has the molecular formula C16H21F4N3O2 and a molecular weight of 363.36 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate
PubChem CID154946470
Molecular FormulaC16H21F4N3O2
Molecular Weight363.36 g/mol
Exact Mass363.16
IUPAC Nametert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC[C@@H]1Nc1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C16H21F4N3O2/c1-15(2,3)25-14(24)23-12-6-4-5-11(12)22-13-10(17)7-9(8-21-13)16(18,19)20/h7-8,11-12H,4-6H2,1-3H3,(H,21,22)(H,23,24)/t11-,12?/m0/s1
InChIKeyDOYMSLNRSCJZML-PXYINDEMSA-N
XLogP4.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,2S)-2-[(3-bromo-5-methyl-2-pyridinyl)amino]cyclopentyl]carbamate
CID 118317030
trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride
CID 118308208
tert-butyl N-[(1S)-2-[(5-carbamoyl-6-chloro-3-fluoro-2-pyridinyl)amino]cyclohexyl]carbamate
CID 163456540
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate
CID 175178885
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 87320947
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
3-chloro-N-(2-methylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43081784
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
CID 86794465
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate (CID 154946470) is tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC[C@@H]1Nc1ncc(C(F)(F)F)cc1F.
What is the InChIKey of tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate?
The InChIKey is DOYMSLNRSCJZML-PXYINDEMSA-N. The full InChI is InChI=1S/C16H21F4N3O2/c1-15(2,3)25-14(24)23-12-6-4-5-11(12)22-13-10(17)7-9(8-21-13)16(18,19)20/h7-8,11-12H,4-6H2,1-3H3,(H,21,22)(H,23,24)/t11-,12?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate?
tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate has a molecular weight of 363.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate is sourced from PubChem (CID 154946470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).