N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide

C20H19N3O2 — CID 71754680

IUPACN-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide
SMILESCOCCn1ccc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc21
InChIInChI=1S/C20H19N3O2/c1-25-11-10-23-9-7-14-2-3-16(13-19(14)23)20(24)22-17-4-5-18-15(12-17)6-8-21-18/h2-9,12-13,21H,10-11H2,1H3,(H,22,24)
InChIKeyNSPKYIVJVOORGE-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.02
Rot. Bonds5

About N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide

N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide (PubChem CID 71754680) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide
PubChem CID71754680
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide
SMILESCOCCn1ccc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc21
InChIInChI=1S/C20H19N3O2/c1-25-11-10-23-9-7-14-2-3-16(13-19(14)23)20(24)22-17-4-5-18-15(12-17)6-8-21-18/h2-9,12-13,21H,10-11H2,1H3,(H,22,24)
InChIKeyNSPKYIVJVOORGE-UHFFFAOYSA-N
XLogP4.02
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71702187
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-1-(2-methoxyethyl)indole-6-carboxamide
CID 110205741
N-(1H-indol-5-yl)-3-methoxybenzamide
CID 110730731
N-[1-(2-methoxyethyl)indol-6-yl]hydroxylamine
CID 89109965
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 56825813
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide
CID 114840582
N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide
CID 56763718
N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide
CID 110471413
N-(1H-indol-5-yl)imidazo[1,5-a]pyridine-7-carboxamide
CID 112526019
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide (CID 71754680) is N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide is COCCn1ccc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc21.
What is the InChIKey of N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide?
The InChIKey is NSPKYIVJVOORGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-11-10-23-9-7-14-2-3-16(13-19(14)23)20(24)22-17-4-5-18-15(12-17)6-8-21-18/h2-9,12-13,21H,10-11H2,1H3,(H,22,24).
What are the key properties of N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide?
N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-6-carboxamide is sourced from PubChem (CID 71754680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).