6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

C20H25FN4 — CID 70903928

IUPAC6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESCC1=CNC(F)C(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)=C1
InChIInChI=1S/C20H25FN4/c1-13-8-17(20(21)24-11-13)15-9-14-2-5-23-12-18(14)19(10-15)25-16-3-6-22-7-4-16/h2,8-12,16,20,22-25H,3-7H2,1H3
InChIKeyPYNZSDICSCKPHW-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.16
Rot. Bonds3

About 6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (PubChem CID 70903928) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
PubChem CID70903928
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESCC1=CNC(F)C(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)=C1
InChIInChI=1S/C20H25FN4/c1-13-8-17(20(21)24-11-13)15-9-14-2-5-23-12-18(14)19(10-15)25-16-3-6-22-7-4-16/h2,8-12,16,20,22-25H,3-7H2,1H3
InChIKeyPYNZSDICSCKPHW-UHFFFAOYSA-N
XLogP1.16
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The IUPAC name of 6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (CID 70903928) is 6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is CC1=CNC(F)C(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)=C1.
What is the InChIKey of 6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The InChIKey is PYNZSDICSCKPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4/c1-13-8-17(20(21)24-11-13)15-9-14-2-5-23-12-18(14)19(10-15)25-16-3-6-22-7-4-16/h2,8-12,16,20,22-25H,3-7H2,1H3.
What are the key properties of 6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine has a molecular weight of 340.45 g/mol, XLogP of 1.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is sourced from PubChem (CID 70903928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).