N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide

C18H18N4O3 — CID 51105768

IUPACN-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1n[nH]c2ccccc12)c1cccc(O)c1
InChIInChI=1S/C18H18N4O3/c23-13-6-3-5-12(11-13)17(24)19-9-4-10-20-18(25)16-14-7-1-2-8-15(14)21-22-16/h1-3,5-8,11,23H,4,9-10H2,(H,19,24)(H,20,25)(H,21,22)
InChIKeyGROUCZRJRIQICF-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.82
Rot. Bonds6

About N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide

N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide (PubChem CID 51105768) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide
PubChem CID51105768
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1n[nH]c2ccccc12)c1cccc(O)c1
InChIInChI=1S/C18H18N4O3/c23-13-6-3-5-12(11-13)17(24)19-9-4-10-20-18(25)16-14-7-1-2-8-15(14)21-22-16/h1-3,5-8,11,23H,4,9-10H2,(H,19,24)(H,20,25)(H,21,22)
InChIKeyGROUCZRJRIQICF-UHFFFAOYSA-N
XLogP1.82
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
4-bromo-N-[3-[(3-hydroxybenzoyl)amino]propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564965
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 47091227
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
3-hydroxy-N-octylbenzamide
CID 115568584
N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide
CID 60598282
N-[2-(3-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397516
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide (CID 51105768) is N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide is O=C(NCCCNC(=O)c1n[nH]c2ccccc12)c1cccc(O)c1.
What is the InChIKey of N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide?
The InChIKey is GROUCZRJRIQICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-13-6-3-5-12(11-13)17(24)19-9-4-10-20-18(25)16-14-7-1-2-8-15(14)21-22-16/h1-3,5-8,11,23H,4,9-10H2,(H,19,24)(H,20,25)(H,21,22).
What are the key properties of N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide?
N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 51105768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).