N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide

C20H23N5O2 — CID 108530134

IUPACN'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)c(C)c1
InChIInChI=1S/C20H23N5O2/c1-4-25(5-2)16-8-9-17(13(3)10-16)23-20(27)19(26)22-15-7-6-14-12-21-24-18(14)11-15/h6-12H,4-5H2,1-3H3,(H,21,24)(H,22,26)(H,23,27)
InChIKeyDPMIWNVFGZRBQX-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.29
Rot. Bonds5

About N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide

N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide (PubChem CID 108530134) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide
PubChem CID108530134
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)c(C)c1
InChIInChI=1S/C20H23N5O2/c1-4-25(5-2)16-8-9-17(13(3)10-16)23-20(27)19(26)22-15-7-6-14-12-21-24-18(14)11-15/h6-12H,4-5H2,1-3H3,(H,21,24)(H,22,26)(H,23,27)
InChIKeyDPMIWNVFGZRBQX-UHFFFAOYSA-N
XLogP3.29
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.29
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)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529290
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108514878
N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide
CID 108524558
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
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-(2-methylpropyl)oxamide
CID 108504895
N-(1H-indazol-6-yl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108530138
1-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108866430

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide?
The IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide (CID 108530134) is N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide.
What is the SMILES notation for N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide?
The canonical SMILES for N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc3cn[nH]c3c2)c(C)c1.
What is the InChIKey of N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide?
The InChIKey is DPMIWNVFGZRBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-25(5-2)16-8-9-17(13(3)10-16)23-20(27)19(26)22-15-7-6-14-12-21-24-18(14)11-15/h6-12H,4-5H2,1-3H3,(H,21,24)(H,22,26)(H,23,27).
What are the key properties of N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide?
N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide has a molecular weight of 365.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide is sourced from PubChem (CID 108530134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).