3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide

C23H28N6O3 — CID 164628666

IUPAC3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESC[C@H](Oc1ccc(C(=O)NCC[C@H]2CNCCO2)cc1-c1cn(C)nn1)c1ccccn1
InChIInChI=1S/C23H28N6O3/c1-16(20-5-3-4-9-25-20)32-22-7-6-17(13-19(22)21-15-29(2)28-27-21)23(30)26-10-8-18-14-24-11-12-31-18/h3-7,9,13,15-16,18,24H,8,10-12,14H2,1-2H3,(H,26,30)/t16-,18-/m0/s1
InChIKeyWIXUVHPFMARONI-WMZOPIPTSA-N
MW436.52 g/mol
LogP2.13
Rot. Bonds8

About 3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide

3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (PubChem CID 164628666) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.

Molecular Properties

Compound Name3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
PubChem CID164628666
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
SMILESC[C@H](Oc1ccc(C(=O)NCC[C@H]2CNCCO2)cc1-c1cn(C)nn1)c1ccccn1
InChIInChI=1S/C23H28N6O3/c1-16(20-5-3-4-9-25-20)32-22-7-6-17(13-19(22)21-15-29(2)28-27-21)23(30)26-10-8-18-14-24-11-12-31-18/h3-7,9,13,15-16,18,24H,8,10-12,14H2,1-2H3,(H,26,30)/t16-,18-/m0/s1
InChIKeyWIXUVHPFMARONI-WMZOPIPTSA-N
XLogP2.13
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The IUPAC name of 3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide (CID 164628666) is 3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide.
What is the SMILES notation for 3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The canonical SMILES for 3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is C[C@H](Oc1ccc(C(=O)NCC[C@H]2CNCCO2)cc1-c1cn(C)nn1)c1ccccn1.
What is the InChIKey of 3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
The InChIKey is WIXUVHPFMARONI-WMZOPIPTSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16(20-5-3-4-9-25-20)32-22-7-6-17(13-19(22)21-15-29(2)28-27-21)23(30)26-10-8-18-14-24-11-12-31-18/h3-7,9,13,15-16,18,24H,8,10-12,14H2,1-2H3,(H,26,30)/t16-,18-/m0/s1.
What are the key properties of 3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide?
3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide has a molecular weight of 436.52 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide is sourced from PubChem (CID 164628666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).