2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

C22H16N4O4 — CID 15521669

IUPAC2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C22H16N4O4/c27-21(22(28)24-16-9-11-23-12-10-16)19-14-25(20-4-2-1-3-18(19)20)13-15-5-7-17(8-6-15)26(29)30/h1-12,14H,13H2,(H,23,24,28)
InChIKeyHRYYIVZPPROGAN-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.81
Rot. Bonds6

About 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 15521669) has the molecular formula C22H16N4O4 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID15521669
Molecular FormulaC22H16N4O4
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC Name2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESO=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C22H16N4O4/c27-21(22(28)24-16-9-11-23-12-10-16)19-14-25(20-4-2-1-3-18(19)20)13-15-5-7-17(8-6-15)26(29)30/h1-12,14H,13H2,(H,23,24,28)
InChIKeyHRYYIVZPPROGAN-UHFFFAOYSA-N
XLogP3.81
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

(R,S)-AM1241
CID 10141893
Indibulin
CID 2929
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
CID 5327686
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
Indole-3-glyoxylamide, N-isopropyl-1-methyl-
CID 41501
N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447
1-methyl-N-phenyl-1H-indole-3-carboxamide
CID 9038340
N-cyclohexyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2068180
2-(1H-Indol-3-yl)-2-oxo-N-p-tolyl-acetamide
CID 3149444
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779
N-(p-methylbenzyl)-5-nitroindol-3-ylglyoxylamide
CID 16124785
3-(1-methyl-1H-indol-3-yl)-4-(2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327716

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 15521669) is 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12.
What is the InChIKey of 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is HRYYIVZPPROGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4/c27-21(22(28)24-16-9-11-23-12-10-16)19-14-25(20-4-2-1-3-18(19)20)13-15-5-7-17(8-6-15)26(29)30/h1-12,14H,13H2,(H,23,24,28).
What are the key properties of 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 400.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-nitrophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 15521669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).