[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane

C20H28F3N3O — CID 142826594

IUPAC[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane
SMILESC1CCCC1.NC1CC[C@H](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C15H18F3N3O.C5H10/c16-15(17,18)11-5-10-8-21(4-3-13(10)20-7-11)14(22)9-1-2-12(19)6-9;1-2-4-5-3-1/h5,7,9,12H,1-4,6,8,19H2;1-5H2/t9-,12?;/m0./s1
InChIKeyOPKKZLZZBCIELK-JDDMYJKFSA-N
MW383.46 g/mol
LogP4.06
Rot. Bonds1

About [(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane

[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane (PubChem CID 142826594) has the molecular formula C20H28F3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is [(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane.

Molecular Properties

Compound Name[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane
PubChem CID142826594
Molecular FormulaC20H28F3N3O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC Name[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane
SMILESC1CCCC1.NC1CC[C@H](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C15H18F3N3O.C5H10/c16-15(17,18)11-5-10-8-21(4-3-13(10)20-7-11)14(22)9-1-2-12(19)6-9;1-2-4-5-3-1/h5,7,9,12H,1-4,6,8,19H2;1-5H2/t9-,12?;/m0./s1
InChIKeyOPKKZLZZBCIELK-JDDMYJKFSA-N
XLogP4.06
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 142826595
(3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane
CID 143080637
cyclobutane;[3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 142826435
1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one
CID 130413543
tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate
CID 142826460
ethyl 4-[[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cycloheptane-1-carboxylate
CID 142826586
[3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 130413518
3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 174750188
CID 59700291
CID 59700291
acetylene;[(1S,3R)-3-aminocyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;propane
CID 143137063
3-chloro-2,2-dimethylpropan-1-ol;[3-(methylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
CID 143080677
methyl 2-(3-aminocyclopentanecarbonyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate
CID 142957132

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane?
The IUPAC name of [(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane (CID 142826594) is [(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane.
What is the SMILES notation for [(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane?
The canonical SMILES for [(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane is C1CCCC1.NC1CC[C@H](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.
What is the InChIKey of [(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane?
The InChIKey is OPKKZLZZBCIELK-JDDMYJKFSA-N. The full InChI is InChI=1S/C15H18F3N3O.C5H10/c16-15(17,18)11-5-10-8-21(4-3-13(10)20-7-11)14(22)9-1-2-12(19)6-9;1-2-4-5-3-1/h5,7,9,12H,1-4,6,8,19H2;1-5H2/t9-,12?;/m0./s1.
What are the key properties of [(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane?
[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane has a molecular weight of 383.46 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane is sourced from PubChem (CID 142826594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).