N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide

C17H24N4O2 — CID 108524558

IUPACN',N'-dibutyl-N-(1H-indazol-6-yl)oxamide
SMILESCCCCN(CCCC)C(=O)C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H24N4O2/c1-3-5-9-21(10-6-4-2)17(23)16(22)19-14-8-7-13-12-18-20-15(13)11-14/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyMXWJGWHRLAZHKL-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.93
Rot. Bonds7

About N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide

N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide (PubChem CID 108524558) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide.

Molecular Properties

Compound NameN',N'-dibutyl-N-(1H-indazol-6-yl)oxamide
PubChem CID108524558
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN',N'-dibutyl-N-(1H-indazol-6-yl)oxamide
SMILESCCCCN(CCCC)C(=O)C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H24N4O2/c1-3-5-9-21(10-6-4-2)17(23)16(22)19-14-8-7-13-12-18-20-15(13)11-14/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyMXWJGWHRLAZHKL-UHFFFAOYSA-N
XLogP2.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108528519
N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108526719
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide
CID 108530134
N-butyl-N-ethyl-1H-indazole-6-carboxamide
CID 55023829
N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
CID 108504895
1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
CID 91829802
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
N-(4-bromophenyl)-N',N'-dioctyloxamide
CID 163361775
N'-butyl-N-(4-iodophenyl)-N'-propyloxamide
CID 108521621

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide?
The IUPAC name of N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide (CID 108524558) is N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide.
What is the SMILES notation for N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide?
The canonical SMILES for N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide is CCCCN(CCCC)C(=O)C(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide?
The InChIKey is MXWJGWHRLAZHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-5-9-21(10-6-4-2)17(23)16(22)19-14-8-7-13-12-18-20-15(13)11-14/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide?
N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide has a molecular weight of 316.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide is sourced from PubChem (CID 108524558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).