N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide

C15H17N5O2 — CID 31517635

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCn3cncn3)ccc21
InChIInChI=1S/C15H17N5O2/c1-11(21)20-7-4-12-8-13(2-3-14(12)20)18-15(22)5-6-19-10-16-9-17-19/h2-3,8-10H,4-7H2,1H3,(H,18,22)
InChIKeyNKXUEICLAAQURR-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.22
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 31517635) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID31517635
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCn3cncn3)ccc21
InChIInChI=1S/C15H17N5O2/c1-11(21)20-7-4-12-8-13(2-3-14(12)20)18-15(22)5-6-19-10-16-9-17-19/h2-3,8-10H,4-7H2,1H3,(H,18,22)
InChIKeyNKXUEICLAAQURR-UHFFFAOYSA-N
XLogP1.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
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N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
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N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17460373
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
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N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
CID 46971413
4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28788777
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 24514872
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 31517635) is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide is CC(=O)N1CCc2cc(NC(=O)CCn3cncn3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is NKXUEICLAAQURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-11(21)20-7-4-12-8-13(2-3-14(12)20)18-15(22)5-6-19-10-16-9-17-19/h2-3,8-10H,4-7H2,1H3,(H,18,22).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 299.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 31517635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).