N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide

C13H16N4O2 — CID 108504895

IUPACN'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H16N4O2/c1-8(2)6-14-12(18)13(19)16-10-4-3-9-7-15-17-11(9)5-10/h3-5,7-8H,6H2,1-2H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyVQUNXGZBSVSJON-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.27
Rot. Bonds3

About N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide

N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide (PubChem CID 108504895) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
PubChem CID108504895
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H16N4O2/c1-8(2)6-14-12(18)13(19)16-10-4-3-9-7-15-17-11(9)5-10/h3-5,7-8H,6H2,1-2H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyVQUNXGZBSVSJON-UHFFFAOYSA-N
XLogP1.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
N'-(1H-indazol-6-yl)-N-(3-propan-2-yloxypropyl)oxamide
CID 108525259
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
N-(1H-indazol-6-yl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519338
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide
CID 82012714
1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
CID 108864826
N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108526719
N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide
CID 108524558
N-(1H-indazol-6-yl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108520045

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide (CID 108504895) is N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide?
The InChIKey is VQUNXGZBSVSJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(2)6-14-12(18)13(19)16-10-4-3-9-7-15-17-11(9)5-10/h3-5,7-8H,6H2,1-2H3,(H,14,18)(H,15,17)(H,16,19).
What are the key properties of N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide?
N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide has a molecular weight of 260.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 108504895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).