2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide

C13H10N4O5 — CID 4631764

IUPAC2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccnc1
InChIInChI=1S/C13H10N4O5/c18-13(15-10-2-1-5-14-8-10)6-9-3-4-11(16(19)20)7-12(9)17(21)22/h1-5,7-8H,6H2,(H,15,18)
InChIKeyHDMXGEVDGJMBCC-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.08
Rot. Bonds5

About 2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide

2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide (PubChem CID 4631764) has the molecular formula C13H10N4O5 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide
PubChem CID4631764
Molecular FormulaC13H10N4O5
Molecular Weight302.25 g/mol
Exact Mass302.07
IUPAC Name2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccnc1
InChIInChI=1S/C13H10N4O5/c18-13(15-10-2-1-5-14-8-10)6-9-3-4-11(16(19)20)7-12(9)17(21)22/h1-5,7-8H,6H2,(H,15,18)
InChIKeyHDMXGEVDGJMBCC-UHFFFAOYSA-N
XLogP2.08
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dinitrophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66222624
2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide
CID 4629043
2-chloro-3,5-dinitro-N-pyridin-3-ylbenzamide
CID 4633114
3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26591854
N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3270507
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678604
N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3515824
2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-pyridin-3-ylacetamide
CID 26422896
3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 4189831
2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 4628926
2-(2,4-difluorophenyl)-N-pyridin-3-ylacetamide
CID 110488862

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide (CID 4631764) is 2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide is O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccnc1.
What is the InChIKey of 2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide?
The InChIKey is HDMXGEVDGJMBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O5/c18-13(15-10-2-1-5-14-8-10)6-9-3-4-11(16(19)20)7-12(9)17(21)22/h1-5,7-8H,6H2,(H,15,18).
What are the key properties of 2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide?
2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide has a molecular weight of 302.25 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 4631764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).