N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide

C19H21N5O2 — CID 108530092

IUPACN-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-24(4-2)16-9-7-14(8-10-16)21-18(25)19(26)22-15-6-5-13-12-20-23-17(13)11-15/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,25)(H,22,26)
InChIKeyQXWLASIDBLSSSB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.99
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide

N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide (PubChem CID 108530092) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
PubChem CID108530092
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-24(4-2)16-9-7-14(8-10-16)21-18(25)19(26)22-15-6-5-13-12-20-23-17(13)11-15/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,25)(H,22,26)
InChIKeyQXWLASIDBLSSSB-UHFFFAOYSA-N
XLogP2.99
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide
CID 108530134
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide
CID 108524558
N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
CID 108504895
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482
N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108528519
N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108526719
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
CID 91829802
N-(1H-indazol-6-yl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519338
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide (CID 108530092) is N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide?
The InChIKey is QXWLASIDBLSSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-24(4-2)16-9-7-14(8-10-16)21-18(25)19(26)22-15-6-5-13-12-20-23-17(13)11-15/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,25)(H,22,26).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide?
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide has a molecular weight of 351.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide is sourced from PubChem (CID 108530092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).