N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide

C14H18N4O2 — CID 108528519

IUPACN'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H18N4O2/c1-3-4-7-18(2)14(20)13(19)16-11-6-5-10-9-15-17-12(10)8-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyJIWQTVBWWLOZTC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.76
Rot. Bonds4

About N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide

N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide (PubChem CID 108528519) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
PubChem CID108528519
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C14H18N4O2/c1-3-4-7-18(2)14(20)13(19)16-11-6-5-10-9-15-17-12(10)8-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyJIWQTVBWWLOZTC-UHFFFAOYSA-N
XLogP1.76
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.76
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',N'-dibutyl-N-(1H-indazol-6-yl)oxamide
CID 108524558
N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108526719
N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide
CID 108528510
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
CID 108504895
N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide
CID 47334598
1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
CID 91829802
N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108528580
N-butyl-N-ethyl-1H-indazole-6-carboxamide
CID 55023829
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide?
The IUPAC name of N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide (CID 108528519) is N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide.
What is the SMILES notation for N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide?
The canonical SMILES for N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide is CCCCN(C)C(=O)C(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide?
The InChIKey is JIWQTVBWWLOZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-4-7-18(2)14(20)13(19)16-11-6-5-10-9-15-17-12(10)8-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide?
N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide has a molecular weight of 274.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide is sourced from PubChem (CID 108528519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).