4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile

C21H24N4O2 — CID 133456205

IUPAC4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile
SMILESCC(=O)c1ccc(C#N)c(NCc2ccc(N3CC(C)OC(C)C3)nc2)c1
InChIInChI=1S/C21H24N4O2/c1-14-12-25(13-15(2)27-14)21-7-4-17(11-24-21)10-23-20-8-18(16(3)26)5-6-19(20)9-22/h4-8,11,14-15,23H,10,12-13H2,1-3H3
InChIKeyRJVRZYNXBCKGDV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.38
Rot. Bonds5

About 4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile

4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile (PubChem CID 133456205) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile.

Molecular Properties

Compound Name4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile
PubChem CID133456205
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile
SMILESCC(=O)c1ccc(C#N)c(NCc2ccc(N3CC(C)OC(C)C3)nc2)c1
InChIInChI=1S/C21H24N4O2/c1-14-12-25(13-15(2)27-14)21-7-4-17(11-24-21)10-23-20-8-18(16(3)26)5-6-19(20)9-22/h4-8,11,14-15,23H,10,12-13H2,1-3H3
InChIKeyRJVRZYNXBCKGDV-UHFFFAOYSA-N
XLogP3.38
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile with MolForge

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Related Compounds

1-(2-cyano-4-fluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 78894419
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
4-acetyl-2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]benzonitrile
CID 133456157
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid
CID 122053041
4-acetyl-2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methylamino]benzonitrile
CID 133457077
4-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylcarbamoylamino]-N,3-dimethylbenzamide
CID 55740946
5-chloro-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]benzonitrile
CID 133285979
(2S)-2-amino-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119846441
4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 46487103
1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702030

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile?
The IUPAC name of 4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile (CID 133456205) is 4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile.
What is the SMILES notation for 4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile?
The canonical SMILES for 4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile is CC(=O)c1ccc(C#N)c(NCc2ccc(N3CC(C)OC(C)C3)nc2)c1.
What is the InChIKey of 4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile?
The InChIKey is RJVRZYNXBCKGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-12-25(13-15(2)27-14)21-7-4-17(11-24-21)10-23-20-8-18(16(3)26)5-6-19(20)9-22/h4-8,11,14-15,23H,10,12-13H2,1-3H3.
What are the key properties of 4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile?
4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile has a molecular weight of 364.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile is sourced from PubChem (CID 133456205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).