[(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C16H20F3N3O2 — CID 130413464

IUPAC[(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESNC1CC[C@](CO)(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)11-5-10-8-22(4-2-13(10)21-7-11)14(24)15(9-23)3-1-12(20)6-15/h5,7,12,23H,1-4,6,8-9,20H2/t12?,15-/m0/s1
InChIKeyBACINZIJMWOVCM-CVRLYYSRSA-N
MW343.35 g/mol
LogP1.48
Rot. Bonds2

About [(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 130413464) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is [(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID130413464
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name[(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESNC1CC[C@](CO)(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)11-5-10-8-22(4-2-13(10)21-7-11)14(24)15(9-23)3-1-12(20)6-15/h5,7,12,23H,1-4,6,8-9,20H2/t12?,15-/m0/s1
InChIKeyBACINZIJMWOVCM-CVRLYYSRSA-N
XLogP1.48
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 130413464) is [(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is NC1CC[C@](CO)(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.
What is the InChIKey of [(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is BACINZIJMWOVCM-CVRLYYSRSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c17-16(18,19)11-5-10-8-22(4-2-13(10)21-7-11)14(24)15(9-23)3-1-12(20)6-15/h5,7,12,23H,1-4,6,8-9,20H2/t12?,15-/m0/s1.
What are the key properties of [(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 343.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-amino-1-(hydroxymethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 130413464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).