N-(4-aminobutyl)-1H-indazole-3-carboxamide

C12H16N4O — CID 64982743

IUPACN-(4-aminobutyl)-1H-indazole-3-carboxamide
SMILESNCCCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H16N4O/c13-7-3-4-8-14-12(17)11-9-5-1-2-6-10(9)15-16-11/h1-2,5-6H,3-4,7-8,13H2,(H,14,17)(H,15,16)
InChIKeyVMFPNKIJRWFOQV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.03
Rot. Bonds5

About N-(4-aminobutyl)-1H-indazole-3-carboxamide

N-(4-aminobutyl)-1H-indazole-3-carboxamide (PubChem CID 64982743) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(4-aminobutyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-1H-indazole-3-carboxamide
PubChem CID64982743
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(4-aminobutyl)-1H-indazole-3-carboxamide
SMILESNCCCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H16N4O/c13-7-3-4-8-14-12(17)11-9-5-1-2-6-10(9)15-16-11/h1-2,5-6H,3-4,7-8,13H2,(H,14,17)(H,15,16)
InChIKeyVMFPNKIJRWFOQV-UHFFFAOYSA-N
XLogP1.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.03
H-Bond Donors ≤ 53
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-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[4-(2-oxo-1-pyridinyl)butyl]-1H-indazole-3-carboxamide
CID 60598282
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide
CID 51105768
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760
N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
CID 41277786
N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119394197
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 60735601
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-aminobutyl)-1H-indazole-3-carboxamide (CID 64982743) is N-(4-aminobutyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-1H-indazole-3-carboxamide is NCCCCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(4-aminobutyl)-1H-indazole-3-carboxamide?
The InChIKey is VMFPNKIJRWFOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-7-3-4-8-14-12(17)11-9-5-1-2-6-10(9)15-16-11/h1-2,5-6H,3-4,7-8,13H2,(H,14,17)(H,15,16).
What are the key properties of N-(4-aminobutyl)-1H-indazole-3-carboxamide?
N-(4-aminobutyl)-1H-indazole-3-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 64982743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).