N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C26H29N7 — CID 59176612

IUPACN-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1cn(-c2ccccc2CNCc2ccccn2)nn1)C1CCCc2cccnc21
InChIInChI=1S/C26H29N7/c1-32(25-13-6-9-20-10-7-15-29-26(20)25)18-23-19-33(31-30-23)24-12-3-2-8-21(24)16-27-17-22-11-4-5-14-28-22/h2-5,7-8,10-12,14-15,19,25,27H,6,9,13,16-18H2,1H3
InChIKeyHHDCIFGYQYRFTE-UHFFFAOYSA-N
MW439.57 g/mol
LogP3.86
Rot. Bonds8

About N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 59176612) has the molecular formula C26H29N7 and a molecular weight of 439.57 g/mol. Its IUPAC name is N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID59176612
Molecular FormulaC26H29N7
Molecular Weight439.57 g/mol
Exact Mass439.25
IUPAC NameN-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1cn(-c2ccccc2CNCc2ccccn2)nn1)C1CCCc2cccnc21
InChIInChI=1S/C26H29N7/c1-32(25-13-6-9-20-10-7-15-29-26(20)25)18-23-19-33(31-30-23)24-12-3-2-8-21(24)16-27-17-22-11-4-5-14-28-22/h2-5,7-8,10-12,14-15,19,25,27H,6,9,13,16-18H2,1H3
InChIKeyHHDCIFGYQYRFTE-UHFFFAOYSA-N
XLogP3.86
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride
CID 68794390
(Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine
CID 143870668
N-benzyl-N'-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)ethane-1,2-diamine;hydrobromide
CID 46205813
N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 22256428
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
(2S)-4-amino-4-oxo-2-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]butanoic acid
CID 141182350
trans-(1S,2S)-2-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1,2-diamine
CID 67198974
trans-(1S,2S)-2-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1,2-diamine;hydrobromide
CID 69088000
N-[1-(1H-benzimidazol-2-yl)ethyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 54037814
N-[1-(benzenesulfonyl)propan-2-yl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 22256450
N-[(5-ethylthiophen-2-yl)methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
CID 22256434
N-(1H-imidazol-5-ylmethyl)-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
CID 69086385

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 59176612) is N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1cn(-c2ccccc2CNCc2ccccn2)nn1)C1CCCc2cccnc21.
What is the InChIKey of N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is HHDCIFGYQYRFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7/c1-32(25-13-6-9-20-10-7-15-29-26(20)25)18-23-19-33(31-30-23)24-12-3-2-8-21(24)16-27-17-22-11-4-5-14-28-22/h2-5,7-8,10-12,14-15,19,25,27H,6,9,13,16-18H2,1H3.
What are the key properties of N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 439.57 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[2-[(pyridin-2-ylmethylamino)methyl]phenyl]triazol-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 59176612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).