N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine

C24H35N5 — CID 135314188

IUPACN-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine
SMILESCc1ccc(CN(CCCN2CCNCC2)CC2Cc3ccccc3CN2)nc1
InChIInChI=1S/C24H35N5/c1-20-7-8-23(26-16-20)18-29(12-4-11-28-13-9-25-10-14-28)19-24-15-21-5-2-3-6-22(21)17-27-24/h2-3,5-8,16,24-25,27H,4,9-15,17-19H2,1H3
InChIKeyXHFUICWXDNMEKL-UHFFFAOYSA-N
MW393.58 g/mol
LogP2.20
Rot. Bonds8

About N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine

N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine (PubChem CID 135314188) has the molecular formula C24H35N5 and a molecular weight of 393.58 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine
PubChem CID135314188
Molecular FormulaC24H35N5
Molecular Weight393.58 g/mol
Exact Mass393.29
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine
SMILESCc1ccc(CN(CCCN2CCNCC2)CC2Cc3ccccc3CN2)nc1
InChIInChI=1S/C24H35N5/c1-20-7-8-23(26-16-20)18-29(12-4-11-28-13-9-25-10-14-28)19-24-15-21-5-2-3-6-22(21)17-27-24/h2-3,5-8,16,24-25,27H,4,9-15,17-19H2,1H3
InChIKeyXHFUICWXDNMEKL-UHFFFAOYSA-N
XLogP2.20
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine (CID 135314188) is N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine is Cc1ccc(CN(CCCN2CCNCC2)CC2Cc3ccccc3CN2)nc1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine?
The InChIKey is XHFUICWXDNMEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5/c1-20-7-8-23(26-16-20)18-29(12-4-11-28-13-9-25-10-14-28)19-24-15-21-5-2-3-6-22(21)17-27-24/h2-3,5-8,16,24-25,27H,4,9-15,17-19H2,1H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine?
N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine has a molecular weight of 393.58 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyridinyl)methyl]-3-piperazin-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 135314188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).