2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide

C14H15N5O2 — CID 103711180

IUPAC2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NCCCc3ncn[nH]3)ccc2N1
InChIInChI=1S/C14H15N5O2/c20-13-7-10-6-9(3-4-11(10)18-13)14(21)15-5-1-2-12-16-8-17-19-12/h3-4,6,8H,1-2,5,7H2,(H,15,21)(H,18,20)(H,16,17,19)
InChIKeyBJPVJARGXUFDQQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.66
Rot. Bonds5

About 2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide

2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide (PubChem CID 103711180) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide
PubChem CID103711180
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NCCCc3ncn[nH]3)ccc2N1
InChIInChI=1S/C14H15N5O2/c20-13-7-10-6-9(3-4-11(10)18-13)14(21)15-5-1-2-12-16-8-17-19-12/h3-4,6,8H,1-2,5,7H2,(H,15,21)(H,18,20)(H,16,17,19)
InChIKeyBJPVJARGXUFDQQ-UHFFFAOYSA-N
XLogP0.66
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 64548674
N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103757881
N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide
CID 64548430
N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 104920104
N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797974
6-methyl-N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]propyl]pyridine-3-carboxamide
CID 138674590
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide (CID 103711180) is 2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)NCCCc3ncn[nH]3)ccc2N1.
What is the InChIKey of 2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide?
The InChIKey is BJPVJARGXUFDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-13-7-10-6-9(3-4-11(10)18-13)14(21)15-5-1-2-12-16-8-17-19-12/h3-4,6,8H,1-2,5,7H2,(H,15,21)(H,18,20)(H,16,17,19).
What are the key properties of 2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide?
2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 103711180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).