N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

C23H33N5 — CID 142416663

IUPACN-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cc2c(c(N3CCNCC3)c1)CC(CN(C)Cc1ncccc1C)NC2
InChIInChI=1S/C23H33N5/c1-17-11-19-14-26-20(15-27(3)16-22-18(2)5-4-6-25-22)13-21(19)23(12-17)28-9-7-24-8-10-28/h4-6,11-12,20,24,26H,7-10,13-16H2,1-3H3
InChIKeyIKWRGJOIEBFUOY-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.25
Rot. Bonds5

About N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 142416663) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
PubChem CID142416663
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC NameN-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cc2c(c(N3CCNCC3)c1)CC(CN(C)Cc1ncccc1C)NC2
InChIInChI=1S/C23H33N5/c1-17-11-19-14-26-20(15-27(3)16-22-18(2)5-4-6-25-22)13-21(19)23(12-17)28-9-7-24-8-10-28/h4-6,11-12,20,24,26H,7-10,13-16H2,1-3H3
InChIKeyIKWRGJOIEBFUOY-UHFFFAOYSA-N
XLogP2.25
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine
CID 158615476
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[[(3R)-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
CID 135314203
N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
CID 135314363
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-piperidin-4-ylmethanamine
CID 112651005
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine
CID 160991548
3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine
CID 112651436
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
N,N-dimethyl-1-[5-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;5,6,7,8-tetrahydroquinoline
CID 142416797
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
N-methyl-N-[[(3R)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398708
1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine
CID 115982424

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (CID 142416663) is N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is Cc1cc2c(c(N3CCNCC3)c1)CC(CN(C)Cc1ncccc1C)NC2.
What is the InChIKey of N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is IKWRGJOIEBFUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-17-11-19-14-26-20(15-27(3)16-22-18(2)5-4-6-25-22)13-21(19)23(12-17)28-9-7-24-8-10-28/h4-6,11-12,20,24,26H,7-10,13-16H2,1-3H3.
What are the key properties of N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 379.55 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-methyl-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 142416663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).