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

C20H26N4 — CID 70903866

IUPAC6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESCC1=CN=CC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)C1
InChIInChI=1S/C20H26N4/c1-14-8-17(12-23-11-14)16-9-15-2-5-22-13-19(15)20(10-16)24-18-3-6-21-7-4-18/h2,9-13,17-18,21-22,24H,3-8H2,1H3
InChIKeyTYGNKZWFCIIDRZ-UHFFFAOYSA-N
MW322.46 g/mol
LogP1.43
Rot. Bonds3

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

6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (PubChem CID 70903866) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
PubChem CID70903866
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESCC1=CN=CC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)C1
InChIInChI=1S/C20H26N4/c1-14-8-17(12-23-11-14)16-9-15-2-5-22-13-19(15)20(10-16)24-18-3-6-21-7-4-18/h2,9-13,17-18,21-22,24H,3-8H2,1H3
InChIKeyTYGNKZWFCIIDRZ-UHFFFAOYSA-N
XLogP1.43
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The IUPAC name of 6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (CID 70903866) is 6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is CC1=CN=CC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)C1.
What is the InChIKey of 6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The InChIKey is TYGNKZWFCIIDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-14-8-17(12-23-11-14)16-9-15-2-5-22-13-19(15)20(10-16)24-18-3-6-21-7-4-18/h2,9-13,17-18,21-22,24H,3-8H2,1H3.
What are the key properties of 6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine has a molecular weight of 322.46 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-3,4-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is sourced from PubChem (CID 70903866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).