2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide

C22H24N4O2 — CID 176666036

IUPAC2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide
SMILESCC1CN(c2cccc(-c3ccc4cnc(CC(N)=O)cc4c3)n2)C[C@H](C)O1
InChIInChI=1S/C22H24N4O2/c1-14-12-26(13-15(2)28-14)22-5-3-4-20(25-22)16-6-7-17-11-24-19(10-21(23)27)9-18(17)8-16/h3-9,11,14-15H,10,12-13H2,1-2H3,(H2,23,27)/t14-,15?/m0/s1
InChIKeyHNTQKYKUQVRNBM-MLCCFXAWSA-N
MW376.46 g/mol
LogP2.94
Rot. Bonds4

About 2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide

2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide (PubChem CID 176666036) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide
PubChem CID176666036
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide
SMILESCC1CN(c2cccc(-c3ccc4cnc(CC(N)=O)cc4c3)n2)C[C@H](C)O1
InChIInChI=1S/C22H24N4O2/c1-14-12-26(13-15(2)28-14)22-5-3-4-20(25-22)16-6-7-17-11-24-19(10-21(23)27)9-18(17)8-16/h3-9,11,14-15H,10,12-13H2,1-2H3,(H2,23,27)/t14-,15?/m0/s1
InChIKeyHNTQKYKUQVRNBM-MLCCFXAWSA-N
XLogP2.94
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]-N-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetamide
CID 176666162
1-(difluoromethylsulfonyl)-3,3-dimethylpiperidine;2-[2-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]acetamide
CID 176666165
[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine
CID 62299451
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-ethyl-2-fluoro-4-methylbenzamide
CID 176665250
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl] hydrogen carbonate
CID 118172748
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(1-hydroxyethyl)-5-methylpyridine-2-carboxamide
CID 176666774
(3S)-3-amino-1-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-4-methoxybutan-2-one
CID 156818010
[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine
CID 176665269
(2R,6S)-2,6-dimethyl-4-(6-methyl-2-pyridinyl)morpholine
CID 89468985
methyl 6-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxylate
CID 123942155
N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]methyl]-2-formyl-N-methylbenzamide
CID 170582157

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide?
The IUPAC name of 2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide (CID 176666036) is 2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide.
What is the SMILES notation for 2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide?
The canonical SMILES for 2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide is CC1CN(c2cccc(-c3ccc4cnc(CC(N)=O)cc4c3)n2)C[C@H](C)O1.
What is the InChIKey of 2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide?
The InChIKey is HNTQKYKUQVRNBM-MLCCFXAWSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-12-26(13-15(2)28-14)22-5-3-4-20(25-22)16-6-7-17-11-24-19(10-21(23)27)9-18(17)8-16/h3-9,11,14-15H,10,12-13H2,1-2H3,(H2,23,27)/t14-,15?/m0/s1.
What are the key properties of 2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide?
2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide is sourced from PubChem (CID 176666036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).