N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide

C12H14N4O3 — CID 108526719

IUPACN'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
SMILESCN(CCO)C(=O)C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H14N4O3/c1-16(4-5-17)12(19)11(18)14-9-3-2-8-7-13-15-10(8)6-9/h2-3,6-7,17H,4-5H2,1H3,(H,13,15)(H,14,18)
InChIKeyPYEIPZXRAKDJBJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.05
Rot. Bonds3

About N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide

N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide (PubChem CID 108526719) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
PubChem CID108526719
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
SMILESCN(CCO)C(=O)C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H14N4O3/c1-16(4-5-17)12(19)11(18)14-9-3-2-8-7-13-15-10(8)6-9/h2-3,6-7,17H,4-5H2,1H3,(H,13,15)(H,14,18)
InChIKeyPYEIPZXRAKDJBJ-UHFFFAOYSA-N
XLogP-0.05
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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',N'-dibutyl-N-(1H-indazol-6-yl)oxamide
CID 108524558
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
N-(2-hydroxyethyl)-N-methyl-1H-indazole-6-carboxamide
CID 60960458
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-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide
CID 108530134
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
CID 91829802
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide?
The IUPAC name of N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide (CID 108526719) is N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide.
What is the SMILES notation for N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide?
The canonical SMILES for N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide is CN(CCO)C(=O)C(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide?
The InChIKey is PYEIPZXRAKDJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-16(4-5-17)12(19)11(18)14-9-3-2-8-7-13-15-10(8)6-9/h2-3,6-7,17H,4-5H2,1H3,(H,13,15)(H,14,18).
What are the key properties of N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide?
N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide has a molecular weight of 262.27 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide is sourced from PubChem (CID 108526719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).