N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide

C15H16N4O2 — CID 108797974

IUPACN-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NCCCn3ccnc3)ccc2N1
InChIInChI=1S/C15H16N4O2/c20-14-9-12-8-11(2-3-13(12)18-14)15(21)17-4-1-6-19-7-5-16-10-19/h2-3,5,7-8,10H,1,4,6,9H2,(H,17,21)(H,18,20)
InChIKeyUQLIZNAZGNMYHH-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.20
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide

N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 108797974) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID108797974
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NCCCn3ccnc3)ccc2N1
InChIInChI=1S/C15H16N4O2/c20-14-9-12-8-11(2-3-13(12)18-14)15(21)17-4-1-6-19-7-5-16-10-19/h2-3,5,7-8,10H,1,4,6,9H2,(H,17,21)(H,18,20)
InChIKeyUQLIZNAZGNMYHH-UHFFFAOYSA-N
XLogP1.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
N-(3-imidazol-1-ylpropyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 78852316
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 17065336
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 104920104

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 108797974) is N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)NCCCn3ccnc3)ccc2N1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is UQLIZNAZGNMYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14-9-12-8-11(2-3-13(12)18-14)15(21)17-4-1-6-19-7-5-16-10-19/h2-3,5,7-8,10H,1,4,6,9H2,(H,17,21)(H,18,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 108797974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).