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

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Related Compounds

N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
CID 75472607
N-[3-[(1S)-1-methoxyethyl]phenyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 97339246
1-(pyridin-4-ylmethyl)-N-[4-(triazol-1-yl)phenyl]piperidin-4-amine
CID 86786877
5-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 128992386
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]isoquinolin-6-amine;hydrochloride
CID 24967850
6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one
CID 129139598
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
1-(pyridin-4-ylmethyl)piperidin-4-one
CID 10997815
1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine
CID 75430820
5-(cyclopropylamino)-2,3-dihydroinden-1-one
CID 83817707

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).