N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide

C19H20N4O — CID 38464745

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)c1n[nH]c2ccccc12
InChIInChI=1S/C19H20N4O/c24-19(18-15-7-2-3-8-16(15)21-22-18)20-11-5-12-23-13-10-14-6-1-4-9-17(14)23/h1-4,6-9H,5,10-13H2,(H,20,24)(H,21,22)
InChIKeyNEHNPOFXPLMQHJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.75
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide (PubChem CID 38464745) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide
PubChem CID38464745
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)c1n[nH]c2ccccc12
InChIInChI=1S/C19H20N4O/c24-19(18-15-7-2-3-8-16(15)21-22-18)20-11-5-12-23-13-10-14-6-1-4-9-17(14)23/h1-4,6-9H,5,10-13H2,(H,20,24)(H,21,22)
InChIKeyNEHNPOFXPLMQHJ-UHFFFAOYSA-N
XLogP2.75
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119394197
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 74248010
N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide
CID 60598282
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide (CID 38464745) is N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide is O=C(NCCCN1CCc2ccccc21)c1n[nH]c2ccccc12.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide?
The InChIKey is NEHNPOFXPLMQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(18-15-7-2-3-8-16(15)21-22-18)20-11-5-12-23-13-10-14-6-1-4-9-17(14)23/h1-4,6-9H,5,10-13H2,(H,20,24)(H,21,22).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 38464745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).