4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide

C13H12N6O2 — CID 84553199

IUPAC4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)Nc1nn[nH]n1
InChIInChI=1S/C13H12N6O2/c20-11(14-13-15-17-18-16-13)5-6-12(21)19-8-7-9-3-1-2-4-10(9)19/h1-4,7-8H,5-6H2,(H2,14,15,16,17,18,20)
InChIKeyOKGJYTCGAGPYAQ-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.21
Rot. Bonds4

About 4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide

4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide (PubChem CID 84553199) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide.

Molecular Properties

Compound Name4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide
PubChem CID84553199
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)Nc1nn[nH]n1
InChIInChI=1S/C13H12N6O2/c20-11(14-13-15-17-18-16-13)5-6-12(21)19-8-7-9-3-1-2-4-10(9)19/h1-4,7-8H,5-6H2,(H2,14,15,16,17,18,20)
InChIKeyOKGJYTCGAGPYAQ-UHFFFAOYSA-N
XLogP1.21
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552815
4-indol-1-yl-4-oxobutanamide
CID 84553197
4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide
CID 84553059
N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552820
4-indol-1-yl-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 84552848
4-[(4-indol-1-yl-4-oxobutanoyl)amino]butanoic acid
CID 84556637
4-indol-1-yl-N-(3-methylsulfanylphenyl)-4-oxobutanamide
CID 84553091
4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide
CID 84561267
4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 84557053
3-chloro-N-(2H-tetrazol-5-yl)propanamide
CID 3253359
5-bromo-2-[(4-indol-1-yl-4-oxobutanoyl)amino]benzoic acid
CID 84553070

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide?
The IUPAC name of 4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide (CID 84553199) is 4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide.
What is the SMILES notation for 4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide?
The canonical SMILES for 4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide is O=C(CCC(=O)n1ccc2ccccc21)Nc1nn[nH]n1.
What is the InChIKey of 4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide?
The InChIKey is OKGJYTCGAGPYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c20-11(14-13-15-17-18-16-13)5-6-12(21)19-8-7-9-3-1-2-4-10(9)19/h1-4,7-8H,5-6H2,(H2,14,15,16,17,18,20).
What are the key properties of 4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide?
4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide has a molecular weight of 284.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide is sourced from PubChem (CID 84553199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).