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

C23H32N4 — CID 158615476

IUPACN-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine
SMILESCc1cccnc1CN(C)C[C@H]1Cc2c(cccc2N2CCCCC2)CN1
InChIInChI=1S/C23H32N4/c1-18-8-7-11-24-22(18)17-26(2)16-20-14-21-19(15-25-20)9-6-10-23(21)27-12-4-3-5-13-27/h6-11,20,25H,3-5,12-17H2,1-2H3/t20-/m1/s1
InChIKeyUVVZQXBKYNJPCU-HXUWFJFHSA-N
MW364.54 g/mol
LogP3.53
Rot. Bonds5

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

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine (PubChem CID 158615476) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine
PubChem CID158615476
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC NameN-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine
SMILESCc1cccnc1CN(C)C[C@H]1Cc2c(cccc2N2CCCCC2)CN1
InChIInChI=1S/C23H32N4/c1-18-8-7-11-24-22(18)17-26(2)16-20-14-21-19(15-25-20)9-6-10-23(21)27-12-4-3-5-13-27/h6-11,20,25H,3-5,12-17H2,1-2H3/t20-/m1/s1
InChIKeyUVVZQXBKYNJPCU-HXUWFJFHSA-N
XLogP3.53
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

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
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-[(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
N-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-(5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
CID 135314363
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-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
(8S)-N-[[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398898
(8S)-N-[[(3S)-5-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 159315888
4-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]piperazine-1-carboxylic acid
CID 174980342
(4aR,10bR)-1-[[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
CID 161424442
(8S)-N-[[(3R)-5-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 146399110
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-piperidin-4-ylmethanamine
CID 112651005

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine?
The IUPAC name of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine (CID 158615476) is N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine?
The canonical SMILES for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine is Cc1cccnc1CN(C)C[C@H]1Cc2c(cccc2N2CCCCC2)CN1.
What is the InChIKey of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine?
The InChIKey is UVVZQXBKYNJPCU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32N4/c1-18-8-7-11-24-22(18)17-26(2)16-20-14-21-19(15-25-20)9-6-10-23(21)27-12-4-3-5-13-27/h6-11,20,25H,3-5,12-17H2,1-2H3/t20-/m1/s1.
What are the key properties of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine?
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine has a molecular weight of 364.54 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine is sourced from PubChem (CID 158615476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).