2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide

C22H18N6O3 — CID 126106352

IUPAC2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c2ccccc21)Nc1ccccc1
InChIInChI=1S/C22H18N6O3/c29-21(25-17-7-2-1-3-8-17)15-27-14-16(18-9-4-5-10-19(18)27)13-24-26-22-20(28(30)31)11-6-12-23-22/h1-14H,15H2,(H,23,26)(H,25,29)/b24-13-
InChIKeyPEBXYGATLUMFQY-CFRMEGHHSA-N
MW414.43 g/mol
LogP4.03
Rot. Bonds7

About 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide

2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide (PubChem CID 126106352) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide
PubChem CID126106352
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC Name2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c2ccccc21)Nc1ccccc1
InChIInChI=1S/C22H18N6O3/c29-21(25-17-7-2-1-3-8-17)15-27-14-16(18-9-4-5-10-19(18)27)13-24-26-22-20(28(30)31)11-6-12-23-22/h1-14H,15H2,(H,23,26)(H,25,29)/b24-13-
InChIKeyPEBXYGATLUMFQY-CFRMEGHHSA-N
XLogP4.03
TPSA114.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide
CID 6053928
N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126103928
N-[[1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4238897
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
2-[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]-N-phenylacetamide
CID 3582277
N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide
CID 1004063
N-[[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 3834315
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126101162
1-(3-nitro-2-pyridinyl)-3-phenylurea
CID 134095340
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
2-(2-methyl-4-nitroimidazol-1-yl)-N-phenylacetamide
CID 42644444
2-[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]-N-(4-methylphenyl)acetamide
CID 3309799

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide (CID 126106352) is 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide is O=C(Cn1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
The InChIKey is PEBXYGATLUMFQY-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H18N6O3/c29-21(25-17-7-2-1-3-8-17)15-27-14-16(18-9-4-5-10-19(18)27)13-24-26-22-20(28(30)31)11-6-12-23-22/h1-14H,15H2,(H,23,26)(H,25,29)/b24-13-.
What are the key properties of 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide has a molecular weight of 414.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 126106352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).