4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

C21H24N6O2 — CID 55843797

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cc2)CC(C)O1
InChIInChI=1S/C21H24N6O2/c1-14-11-27(12-15(2)29-14)13-16-6-8-17(9-7-16)20(28)24-21-23-19(25-26-21)18-5-3-4-10-22-18/h3-10,14-15H,11-13H2,1-2H3,(H2,23,24,25,26,28)
InChIKeyZSYCSPTUAVJHIJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.73
Rot. Bonds5

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 55843797) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID55843797
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cc2)CC(C)O1
InChIInChI=1S/C21H24N6O2/c1-14-11-27(12-15(2)29-14)13-16-6-8-17(9-7-16)20(28)24-21-23-19(25-26-21)18-5-3-4-10-22-18/h3-10,14-15H,11-13H2,1-2H3,(H2,23,24,25,26,28)
InChIKeyZSYCSPTUAVJHIJ-UHFFFAOYSA-N
XLogP2.73
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 70814466
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55623134
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
N-(6-amino-3-pyridinyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119515670
4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992058
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide
CID 119387921
N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885
N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55625307
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide
CID 86992038
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 55635677

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 55843797) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is CC1CN(Cc2ccc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cc2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is ZSYCSPTUAVJHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-11-27(12-15(2)29-14)13-16-6-8-17(9-7-16)20(28)24-21-23-19(25-26-21)18-5-3-4-10-22-18/h3-10,14-15H,11-13H2,1-2H3,(H2,23,24,25,26,28).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 55843797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).