5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide

C24H26N6O2 — CID 155555076

IUPAC5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(-c2cn(Cc3ccc(C#N)cc3)nn2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C24H26N6O2/c1-18-2-7-21(14-22(18)24(31)26-8-9-29-10-12-32-13-11-29)23-17-30(28-27-23)16-20-5-3-19(15-25)4-6-20/h2-7,14,17H,8-13,16H2,1H3,(H,26,31)
InChIKeyOKUMLMUOHYXASE-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.24
Rot. Bonds7

About 5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide

5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 155555076) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID155555076
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(-c2cn(Cc3ccc(C#N)cc3)nn2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C24H26N6O2/c1-18-2-7-21(14-22(18)24(31)26-8-9-29-10-12-32-13-11-29)23-17-30(28-27-23)16-20-5-3-19(15-25)4-6-20/h2-7,14,17H,8-13,16H2,1H3,(H,26,31)
InChIKeyOKUMLMUOHYXASE-UHFFFAOYSA-N
XLogP2.24
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]benzamide
CID 155539093
methyl 4-[[4-[4-methyl-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]triazol-1-yl]methyl]benzoate
CID 155544435
2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide
CID 155542665
5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 155563138
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
N-[4-[1-[[3,5-bis[[4-[4-(3-morpholin-4-ylpropanoylamino)phenyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]phenyl]-3-morpholin-4-ylpropanamide
CID 46844991
5-(4-cyanophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 122540294
N-(2-morpholin-4-ylethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 74238226
6-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096501
(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851166
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 155555076) is 5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(-c2cn(Cc3ccc(C#N)cc3)nn2)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is OKUMLMUOHYXASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-18-2-7-21(14-22(18)24(31)26-8-9-29-10-12-32-13-11-29)23-17-30(28-27-23)16-20-5-3-19(15-25)4-6-20/h2-7,14,17H,8-13,16H2,1H3,(H,26,31).
What are the key properties of 5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 155555076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).