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

C16H11N5O2 — CID 108519482

IUPACN-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C16H11N5O2/c17-8-10-1-4-12(5-2-10)19-15(22)16(23)20-13-6-3-11-9-18-21-14(11)7-13/h1-7,9H,(H,18,21)(H,19,22)(H,20,23)
InChIKeyORENKRRLBXDENW-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.01
Rot. Bonds2

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

N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide (PubChem CID 108519482) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
PubChem CID108519482
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC NameN-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
SMILESN#Cc1ccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C16H11N5O2/c17-8-10-1-4-12(5-2-10)19-15(22)16(23)20-13-6-3-11-9-18-21-14(11)7-13/h1-7,9H,(H,18,21)(H,19,22)(H,20,23)
InChIKeyORENKRRLBXDENW-UHFFFAOYSA-N
XLogP2.01
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.01
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-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide
CID 108530089
1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
CID 108864826
N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide
CID 108530119
N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
CID 108504895
N-(1H-indazol-6-yl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108520045
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
N-(1H-indazol-6-yl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519338

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide (CID 108519482) is N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide is N#Cc1ccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide?
The InChIKey is ORENKRRLBXDENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c17-8-10-1-4-12(5-2-10)19-15(22)16(23)20-13-6-3-11-9-18-21-14(11)7-13/h1-7,9H,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide?
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide has a molecular weight of 305.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide is sourced from PubChem (CID 108519482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).