N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide

C19H17N5O5 — CID 4573569

IUPACN'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide
SMILESCCCn1c(O)c(/N=N/C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C19H17N5O5/c1-2-10-23-15-9-4-3-8-14(15)16(19(23)27)21-22-18(26)17(25)20-12-6-5-7-13(11-12)24(28)29/h3-9,11,27H,2,10H2,1H3,(H,20,25)/b22-21+
InChIKeyFIRSZNKQFMSBAO-QURGRASLSA-N
MW395.38 g/mol
LogP3.91
Rot. Bonds5

About N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide

N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide (PubChem CID 4573569) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide
PubChem CID4573569
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC NameN'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide
SMILESCCCn1c(O)c(/N=N/C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C19H17N5O5/c1-2-10-23-15-9-4-3-8-14(15)16(19(23)27)21-22-18(26)17(25)20-12-6-5-7-13(11-12)24(28)29/h3-9,11,27H,2,10H2,1H3,(H,20,25)/b22-21+
InChIKeyFIRSZNKQFMSBAO-QURGRASLSA-N
XLogP3.91
TPSA139.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-butyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 135824408
N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide
CID 3101776
N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide
CID 3375454
1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol
CID 3899807
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-[2-hydroxy-1-[(3-nitrophenyl)methyl]indol-3-yl]iminobenzamide
CID 1016399
N-(1-benzyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 1098392
N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]imino-3-nitrobenzamide
CID 137172295
N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide
CID 3838815
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide
CID 2253515

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide?
The IUPAC name of N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide (CID 4573569) is N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide.
What is the SMILES notation for N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide?
The canonical SMILES for N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide is CCCn1c(O)c(/N=N/C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21.
What is the InChIKey of N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide?
The InChIKey is FIRSZNKQFMSBAO-QURGRASLSA-N. The full InChI is InChI=1S/C19H17N5O5/c1-2-10-23-15-9-4-3-8-14(15)16(19(23)27)21-22-18(26)17(25)20-12-6-5-7-13(11-12)24(28)29/h3-9,11,27H,2,10H2,1H3,(H,20,25)/b22-21+.
What are the key properties of N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide?
N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide has a molecular weight of 395.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide is sourced from PubChem (CID 4573569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).