5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide

C21H21N5O3 — CID 71829408

IUPAC5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)n(C)c2cc1OC
InChIInChI=1S/C21H21N5O3/c1-25-17-10-20(29-3)19(28-2)9-15(17)8-18(25)21(27)24-16-6-4-14(5-7-16)11-26-13-22-12-23-26/h4-10,12-13H,11H2,1-3H3,(H,24,27)
InChIKeyHTZCUPMIRRWICA-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.09
Rot. Bonds6

About 5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide

5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide (PubChem CID 71829408) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide
PubChem CID71829408
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)n(C)c2cc1OC
InChIInChI=1S/C21H21N5O3/c1-25-17-10-20(29-3)19(28-2)9-15(17)8-18(25)21(27)24-16-6-4-14(5-7-16)11-26-13-22-12-23-26/h4-10,12-13H,11H2,1-3H3,(H,24,27)
InChIKeyHTZCUPMIRRWICA-UHFFFAOYSA-N
XLogP3.09
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 78898253
4-acetyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrole-2-carboxamide
CID 78860169
N-[4-[2-(dimethylamino)ethoxy]phenyl]-5,6-dimethoxy-1-methylindole-2-carboxamide
CID 121239053
2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78860159
5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride
CID 171667402
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47017921
1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide
CID 71706483
5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide
CID 71701709
4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide
CID 30760557

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide (CID 71829408) is 5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide is COc1cc2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)n(C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide?
The InChIKey is HTZCUPMIRRWICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-25-17-10-20(29-3)19(28-2)9-15(17)8-18(25)21(27)24-16-6-4-14(5-7-16)11-26-13-22-12-23-26/h4-10,12-13H,11H2,1-3H3,(H,24,27).
What are the key properties of 5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide?
5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 71829408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).