2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide

C16H17N5O2 — CID 56754059

IUPAC2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide
SMILESCCC(C(=O)Nn1cnnc1)n1cc(C(C)=O)c2ccccc21
InChIInChI=1S/C16H17N5O2/c1-3-14(16(23)19-20-9-17-18-10-20)21-8-13(11(2)22)12-6-4-5-7-15(12)21/h4-10,14H,3H2,1-2H3,(H,19,23)
InChIKeyMKYYLRLSBMDDCV-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.16
Rot. Bonds5

About 2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide

2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide (PubChem CID 56754059) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide
PubChem CID56754059
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide
SMILESCCC(C(=O)Nn1cnnc1)n1cc(C(C)=O)c2ccccc21
InChIInChI=1S/C16H17N5O2/c1-3-14(16(23)19-20-9-17-18-10-20)21-8-13(11(2)22)12-6-4-5-7-15(12)21/h4-10,14H,3H2,1-2H3,(H,19,23)
InChIKeyMKYYLRLSBMDDCV-UHFFFAOYSA-N
XLogP2.16
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide?
The IUPAC name of 2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide (CID 56754059) is 2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide?
The canonical SMILES for 2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide is CCC(C(=O)Nn1cnnc1)n1cc(C(C)=O)c2ccccc21.
What is the InChIKey of 2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide?
The InChIKey is MKYYLRLSBMDDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-14(16(23)19-20-9-17-18-10-20)21-8-13(11(2)22)12-6-4-5-7-15(12)21/h4-10,14H,3H2,1-2H3,(H,19,23).
What are the key properties of 2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide?
2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide has a molecular weight of 311.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-N-(1,2,4-triazol-4-yl)butanamide is sourced from PubChem (CID 56754059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).