N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide

C16H13N5O3 — CID 108530089

IUPACN'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide
SMILESNc1ccc(C(=O)NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C16H13N5O3/c17-11-4-1-9(2-5-11)14(22)20-16(24)15(23)19-12-6-3-10-8-18-21-13(10)7-12/h1-8H,17H2,(H,18,21)(H,19,23)(H,20,22,24)
InChIKeyNBWKXFPQHJSNQM-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.04
Rot. Bonds2

About N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide

N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide (PubChem CID 108530089) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide.

Molecular Properties

Compound NameN'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide
PubChem CID108530089
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC NameN'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide
SMILESNc1ccc(C(=O)NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C16H13N5O3/c17-11-4-1-9(2-5-11)14(22)20-16(24)15(23)19-12-6-3-10-8-18-21-13(10)7-12/h1-8H,17H2,(H,18,21)(H,19,23)(H,20,22,24)
InChIKeyNBWKXFPQHJSNQM-UHFFFAOYSA-N
XLogP1.04
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(1H-indazol-6-yl)acetamide
CID 43710788
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
N-(1H-indazol-6-yl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519338
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
CID 108504895
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
CID 66464887
N-(1H-indazol-6-yl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108520045
N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide
CID 108530119

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide?
The IUPAC name of N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide (CID 108530089) is N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide.
What is the SMILES notation for N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide?
The canonical SMILES for N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide is Nc1ccc(C(=O)NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide?
The InChIKey is NBWKXFPQHJSNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c17-11-4-1-9(2-5-11)14(22)20-16(24)15(23)19-12-6-3-10-8-18-21-13(10)7-12/h1-8H,17H2,(H,18,21)(H,19,23)(H,20,22,24).
What are the key properties of N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide?
N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide has a molecular weight of 323.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide is sourced from PubChem (CID 108530089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).