N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine

C27H36N6O2 — CID 170762932

IUPACN-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine
SMILESCc1cc(N2CC(C)(CN(C)c3ccccn3)C2)ccc1-c1cn(CC2OCC(C)(C)CO2)nn1
InChIInChI=1S/C27H36N6O2/c1-20-12-21(32-16-27(4,17-32)15-31(5)24-8-6-7-11-28-24)9-10-22(20)23-13-33(30-29-23)14-25-34-18-26(2,3)19-35-25/h6-13,25H,14-19H2,1-5H3
InChIKeyIVRFJAWUKXTLMX-UHFFFAOYSA-N
MW476.63 g/mol
LogP4.01
Rot. Bonds7

About N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine

N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine (PubChem CID 170762932) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine
PubChem CID170762932
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC NameN-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine
SMILESCc1cc(N2CC(C)(CN(C)c3ccccn3)C2)ccc1-c1cn(CC2OCC(C)(C)CO2)nn1
InChIInChI=1S/C27H36N6O2/c1-20-12-21(32-16-27(4,17-32)15-31(5)24-8-6-7-11-28-24)9-10-22(20)23-13-33(30-29-23)14-25-34-18-26(2,3)19-35-25/h6-13,25H,14-19H2,1-5H3
InChIKeyIVRFJAWUKXTLMX-UHFFFAOYSA-N
XLogP4.01
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine with MolForge

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Related Compounds

N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]pyridin-2-amine
CID 164857218
1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-4-(1-pyridin-2-ylcyclopropyl)piperazine
CID 170763044
1-[1-[3-(dimethylamino)-4-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]phenyl]-3-methylazetidin-3-yl]ethanol
CID 170762906
1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole
CID 170762993
5-benzyl-2-[3-methyl-4-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]phenyl]-2,5-diazaspiro[3.4]octane
CID 164857153
5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine
CID 164858461
4-[4-(2-cyclopropylethynyl)-2-methylphenyl]-1-[[(2R)-4,4-dimethyloxolan-2-yl]methyl]triazole
CID 164857728
2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methyl-5-[3-(triazol-1-yl)prop-1-ynyl]pyridine
CID 170763187
1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-N-(4-methoxyphenyl)-N-methyltriazol-4-amine
CID 170763097
4-[5-(3,3-dimethylazetidin-1-yl)-2,4-dimethylphenyl]-1-(oxan-2-ylmethyl)triazole
CID 164857452
1-[4-chloro-3-[[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-methylamino]phenyl]ethanone
CID 170763047
(2R,3S,4R)-4-[[benzyl(hydroxy)amino]methyl]-4-methyl-2-[(4-phenyltriazol-1-yl)methyl]oxolan-3-ol
CID 134466872

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine?
The IUPAC name of N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine (CID 170762932) is N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine is Cc1cc(N2CC(C)(CN(C)c3ccccn3)C2)ccc1-c1cn(CC2OCC(C)(C)CO2)nn1.
What is the InChIKey of N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine?
The InChIKey is IVRFJAWUKXTLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-20-12-21(32-16-27(4,17-32)15-31(5)24-8-6-7-11-28-24)9-10-22(20)23-13-33(30-29-23)14-25-34-18-26(2,3)19-35-25/h6-13,25H,14-19H2,1-5H3.
What are the key properties of N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine?
N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine has a molecular weight of 476.63 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 170762932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).