(2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide

C20H22N4O2 — CID 95139242

IUPAC(2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCc1noc(CCNC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)n1
InChIInChI=1S/C20H22N4O2/c1-12-7-8-17-15(11-12)19(14-5-3-4-6-16(14)23-17)20(25)21-10-9-18-22-13(2)24-26-18/h3-6,12H,7-11H2,1-2H3,(H,21,25)/t12-/m0/s1
InChIKeyASSZZBXDIZGAHV-LBPRGKRZSA-N
MW350.42 g/mol
LogP3.02
Rot. Bonds4

About (2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide

(2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 95139242) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID95139242
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCc1noc(CCNC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)n1
InChIInChI=1S/C20H22N4O2/c1-12-7-8-17-15(11-12)19(14-5-3-4-6-16(14)23-17)20(25)21-10-9-18-22-13(2)24-26-18/h3-6,12H,7-11H2,1-2H3,(H,21,25)/t12-/m0/s1
InChIKeyASSZZBXDIZGAHV-LBPRGKRZSA-N
XLogP3.02
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cycloheptyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 7886798
[2-oxo-2-(propylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599503
[2-(3-methylbutylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599494
N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 42905717
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139057
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18130518
[(2R)-1-oxo-1-(propylamino)propan-2-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8997268
[(2R)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8997272
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2128146
(4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4002903
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 95139242) is (2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide is Cc1noc(CCNC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)n1.
What is the InChIKey of (2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is ASSZZBXDIZGAHV-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-7-8-17-15(11-12)19(14-5-3-4-6-16(14)23-17)20(25)21-10-9-18-22-13(2)24-26-18/h3-6,12H,7-11H2,1-2H3,(H,21,25)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
(2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 95139242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).