N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide

C21H21N5O3 — CID 6416975

IUPACN-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide
SMILESCCn1c2nc(NC(=O)c3ccc(OC)c(OC)c3)nnc2c2cccc(C)c21
InChIInChI=1S/C21H21N5O3/c1-5-26-18-12(2)7-6-8-14(18)17-19(26)22-21(25-24-17)23-20(27)13-9-10-15(28-3)16(11-13)29-4/h6-11H,5H2,1-4H3,(H,22,23,25,27)
InChIKeyWPAQIBXNPIKFLE-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.58
Rot. Bonds5

About N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide

N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide (PubChem CID 6416975) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide
PubChem CID6416975
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide
SMILESCCn1c2nc(NC(=O)c3ccc(OC)c(OC)c3)nnc2c2cccc(C)c21
InChIInChI=1S/C21H21N5O3/c1-5-26-18-12(2)7-6-8-14(18)17-19(26)22-21(25-24-17)23-20(27)13-9-10-15(28-3)16(11-13)29-4/h6-11H,5H2,1-4H3,(H,22,23,25,27)
InChIKeyWPAQIBXNPIKFLE-UHFFFAOYSA-N
XLogP3.58
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide with MolForge

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Related Compounds

N-[8-(diethylsulfamoyl)-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl]-3,4-dimethoxybenzamide
CID 6417141
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
3,4-dimethoxy-N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417003
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112996997
3,4-dimethoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028699
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417136
3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 10970901
3,4-dimethoxy-N-(5-methyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6416907
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide (CID 6416975) is N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide is CCn1c2nc(NC(=O)c3ccc(OC)c(OC)c3)nnc2c2cccc(C)c21.
What is the InChIKey of N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide?
The InChIKey is WPAQIBXNPIKFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-5-26-18-12(2)7-6-8-14(18)17-19(26)22-21(25-24-17)23-20(27)13-9-10-15(28-3)16(11-13)29-4/h6-11H,5H2,1-4H3,(H,22,23,25,27).
What are the key properties of N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide?
N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide has a molecular weight of 391.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-6-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 6416975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).