N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C24H25N5O3 — CID 53006218

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(-n3nnc4cccnc43)cc2)cc1OCC
InChIInChI=1S/C24H25N5O3/c1-3-31-21-12-7-17(16-22(21)32-4-2)13-15-26-24(30)18-8-10-19(11-9-18)29-23-20(27-28-29)6-5-14-25-23/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,26,30)
InChIKeyNOMZASXDMYHRDW-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.59
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53006218) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53006218
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(-n3nnc4cccnc43)cc2)cc1OCC
InChIInChI=1S/C24H25N5O3/c1-3-31-21-12-7-17(16-22(21)32-4-2)13-15-26-24(30)18-8-10-19(11-9-18)29-23-20(27-28-29)6-5-14-25-23/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,26,30)
InChIKeyNOMZASXDMYHRDW-UHFFFAOYSA-N
XLogP3.59
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
N-(4-ethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067502
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134030458
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067547
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304
N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9372355
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 26120167
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006219
1-(4-bromophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrazole-4-carboxamide
CID 50772666
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 50772964

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53006218) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is CCOc1ccc(CCNC(=O)c2ccc(-n3nnc4cccnc43)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is NOMZASXDMYHRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-31-21-12-7-17(16-22(21)32-4-2)13-15-26-24(30)18-8-10-19(11-9-18)29-23-20(27-28-29)6-5-14-25-23/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 431.50 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53006218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).