N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide

C17H17N5O2 — CID 108529059

IUPACN-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C17H17N5O2/c1-22(2)14-5-3-4-12(8-14)19-16(23)17(24)20-13-7-6-11-10-18-21-15(11)9-13/h3-10H,1-2H3,(H,18,21)(H,19,23)(H,20,24)
InChIKeyGBTQBKNWAQSHFT-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.21
Rot. Bonds3

About N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide

N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide (PubChem CID 108529059) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
PubChem CID108529059
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C17H17N5O2/c1-22(2)14-5-3-4-12(8-14)19-16(23)17(24)20-13-7-6-11-10-18-21-15(11)9-13/h3-10H,1-2H3,(H,18,21)(H,19,23)(H,20,24)
InChIKeyGBTQBKNWAQSHFT-UHFFFAOYSA-N
XLogP2.21
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.21
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-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide
CID 108530119
N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108528519
N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide
CID 108530108
N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108526719
N-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxamide
CID 110468742
N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
CID 108504895
N-(1H-indazol-6-yl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108530138
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482
N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide
CID 108530134

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide (CID 108529059) is N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide is CN(C)c1cccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide?
The InChIKey is GBTQBKNWAQSHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22(2)14-5-3-4-12(8-14)19-16(23)17(24)20-13-7-6-11-10-18-21-15(11)9-13/h3-10H,1-2H3,(H,18,21)(H,19,23)(H,20,24).
What are the key properties of N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide?
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide has a molecular weight of 323.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide is sourced from PubChem (CID 108529059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).