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

C17H21F6N3O — CID 143080637

IUPAC(3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane
SMILESCC(F)(F)F.NC1CCC(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C15H18F3N3O.C2H3F3/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(3,4)5/h5,7,9,12H,1-4,6,8,19H2;1H3
InChIKeyDMKYELSXMRYVIB-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.68
Rot. Bonds1

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

(3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane (PubChem CID 143080637) has the molecular formula C17H21F6N3O and a molecular weight of 397.36 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane
PubChem CID143080637
Molecular FormulaC17H21F6N3O
Molecular Weight397.36 g/mol
Exact Mass397.16
IUPAC Name(3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane
SMILESCC(F)(F)F.NC1CCC(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C15H18F3N3O.C2H3F3/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(3,4)5/h5,7,9,12H,1-4,6,8,19H2;1H3
InChIKeyDMKYELSXMRYVIB-UHFFFAOYSA-N
XLogP3.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.68
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
[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane
CID 142826594
tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate
CID 142826460
1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one
CID 130413543
cyclobutane;[3-(oxan-4-ylamino)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 142826435
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
ethyl 4-[[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cycloheptane-1-carboxylate
CID 142826586
acetylene;[(1S,3R)-3-aminocyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;propane
CID 143137063
[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
methyl 2-(3-aminocyclopentanecarbonyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate
CID 142957132
CID 59700291
CID 59700291

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane?
The IUPAC name of (3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane (CID 143080637) is (3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane.
What is the SMILES notation for (3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane?
The canonical SMILES for (3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane is CC(F)(F)F.NC1CCC(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane?
The InChIKey is DMKYELSXMRYVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O.C2H3F3/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(3,4)5/h5,7,9,12H,1-4,6,8,19H2;1H3.
What are the key properties of (3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane?
(3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane has a molecular weight of 397.36 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;1,1,1-trifluoroethane is sourced from PubChem (CID 143080637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).