2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one

C21H26N4O — CID 146107579

IUPAC2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(NC3CCN(Cc4ccncc4)CC3)ccc2C1=O
InChIInChI=1S/C21H26N4O/c1-24-11-6-17-14-19(2-3-20(17)21(24)26)23-18-7-12-25(13-8-18)15-16-4-9-22-10-5-16/h2-5,9-10,14,18,23H,6-8,11-13,15H2,1H3
InChIKeyLGMZYBGPCUVCIZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.79
Rot. Bonds4

About 2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one

2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one (PubChem CID 146107579) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one
PubChem CID146107579
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2cc(NC3CCN(Cc4ccncc4)CC3)ccc2C1=O
InChIInChI=1S/C21H26N4O/c1-24-11-6-17-14-19(2-3-20(17)21(24)26)23-18-7-12-25(13-8-18)15-16-4-9-22-10-5-16/h2-5,9-10,14,18,23H,6-8,11-13,15H2,1H3
InChIKeyLGMZYBGPCUVCIZ-UHFFFAOYSA-N
XLogP2.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one 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 2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one (CID 146107579) is 2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one is CN1CCc2cc(NC3CCN(Cc4ccncc4)CC3)ccc2C1=O.
What is the InChIKey of 2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one?
The InChIKey is LGMZYBGPCUVCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-24-11-6-17-14-19(2-3-20(17)21(24)26)23-18-7-12-25(13-8-18)15-16-4-9-22-10-5-16/h2-5,9-10,14,18,23H,6-8,11-13,15H2,1H3.
What are the key properties of 2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one?
2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one has a molecular weight of 350.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 146107579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).