N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide

C20H19N5O2 — CID 23610505

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCCc3c[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C20H19N5O2/c1-27-16-8-6-15(7-9-16)25-13-19(23-24-25)20(26)21-11-10-14-12-22-18-5-3-2-4-17(14)18/h2-9,12-13,22H,10-11H2,1H3,(H,21,26)
InChIKeySHHOIMJVKWXCRO-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide (PubChem CID 23610505) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
PubChem CID23610505
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCCc3c[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C20H19N5O2/c1-27-16-8-6-15(7-9-16)25-13-19(23-24-25)20(26)21-11-10-14-12-22-18-5-3-2-4-17(14)18/h2-9,12-13,22H,10-11H2,1H3,(H,21,26)
InChIKeySHHOIMJVKWXCRO-UHFFFAOYSA-N
XLogP2.73
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109193538
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989627
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 27956964
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide
CID 4874239

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide (CID 23610505) is N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide is COc1ccc(-n2cc(C(=O)NCCc3c[nH]c4ccccc34)nn2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is SHHOIMJVKWXCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-27-16-8-6-15(7-9-16)25-13-19(23-24-25)20(26)21-11-10-14-12-22-18-5-3-2-4-17(14)18/h2-9,12-13,22H,10-11H2,1H3,(H,21,26).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 23610505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).