[(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane

C19H28F3N3O2 — CID 142943114

IUPAC[(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane
SMILESCCC.COc1nc(C(F)(F)F)cc2c1CCN(C(=O)[C@H]1CCC(N)C1)C2
InChIInChI=1S/C16H20F3N3O2.C3H8/c1-24-14-12-4-5-22(15(23)9-2-3-11(20)6-9)8-10(12)7-13(21-14)16(17,18)19;1-3-2/h7,9,11H,2-6,8,20H2,1H3;3H2,1-2H3/t9-,11?;/m0./s1
InChIKeyFIAWUFRSTKSOMT-QMOSYVFLSA-N
MW387.45 g/mol
LogP3.54
Rot. Bonds2

About [(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane

[(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane (PubChem CID 142943114) has the molecular formula C19H28F3N3O2 and a molecular weight of 387.45 g/mol. Its IUPAC name is [(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane.

Molecular Properties

Compound Name[(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane
PubChem CID142943114
Molecular FormulaC19H28F3N3O2
Molecular Weight387.45 g/mol
Exact Mass387.21
IUPAC Name[(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane
SMILESCCC.COc1nc(C(F)(F)F)cc2c1CCN(C(=O)[C@H]1CCC(N)C1)C2
InChIInChI=1S/C16H20F3N3O2.C3H8/c1-24-14-12-4-5-22(15(23)9-2-3-11(20)6-9)8-10(12)7-13(21-14)16(17,18)19;1-3-2/h7,9,11H,2-6,8,20H2,1H3;3H2,1-2H3/t9-,11?;/m0./s1
InChIKeyFIAWUFRSTKSOMT-QMOSYVFLSA-N
XLogP3.54
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-aminocyclopentanecarbonyl)-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate
CID 142957132
acetylene;[(1S,3R)-3-aminocyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;propane
CID 143137063
[(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
[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane
CID 142826594
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477
(3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 167900672
ethyl 4-[[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]cycloheptane-1-carboxylate
CID 142826586
[5-amino-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(oxan-4-ylamino)cyclopentyl]methanone
CID 142826952
(3-aminocyclopentyl)-[4-(methylideneamino)-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 142826689
[(1S)-3-[[(4S)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
CID 143046575
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

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane?
The IUPAC name of [(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane (CID 142943114) is [(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane.
What is the SMILES notation for [(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane?
The canonical SMILES for [(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane is CCC.COc1nc(C(F)(F)F)cc2c1CCN(C(=O)[C@H]1CCC(N)C1)C2.
What is the InChIKey of [(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane?
The InChIKey is FIAWUFRSTKSOMT-QMOSYVFLSA-N. The full InChI is InChI=1S/C16H20F3N3O2.C3H8/c1-24-14-12-4-5-22(15(23)9-2-3-11(20)6-9)8-10(12)7-13(21-14)16(17,18)19;1-3-2/h7,9,11H,2-6,8,20H2,1H3;3H2,1-2H3/t9-,11?;/m0./s1.
What are the key properties of [(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane?
[(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane has a molecular weight of 387.45 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-aminocyclopentyl]-[5-methoxy-7-(trifluoromethyl)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]methanone;propane is sourced from PubChem (CID 142943114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).