N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide

C17H15N5O4 — CID 3257213

IUPACN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C17H15N5O4/c1-10-2-4-11(5-3-10)18-9-15(23)20-21-16-13-8-12(22(25)26)6-7-14(13)19-17(16)24/h2-8,18-19,24H,9H2,1H3/b21-20+
InChIKeyGVMHPCPIXHITNH-QZQOTICOSA-N
MW353.34 g/mol
LogP3.81
Rot. Bonds5

About N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide (PubChem CID 3257213) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide
PubChem CID3257213
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C17H15N5O4/c1-10-2-4-11(5-3-10)18-9-15(23)20-21-16-13-8-12(22(25)26)6-7-14(13)19-17(16)24/h2-8,18-19,24H,9H2,1H3/b21-20+
InChIKeyGVMHPCPIXHITNH-QZQOTICOSA-N
XLogP3.81
TPSA132.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide (CID 3257213) is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide?
The InChIKey is GVMHPCPIXHITNH-QZQOTICOSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-10-2-4-11(5-3-10)18-9-15(23)20-21-16-13-8-12(22(25)26)6-7-14(13)19-17(16)24/h2-8,18-19,24H,9H2,1H3/b21-20+.
What are the key properties of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide?
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide has a molecular weight of 353.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 3257213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).