3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide

C14H12N4O4 — CID 26591854

IUPAC3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccnc1
InChIInChI=1S/C14H12N4O4/c19-13(17-11-4-2-6-15-8-11)9-16-14(20)10-3-1-5-12(7-10)18(21)22/h1-8H,9H2,(H,16,20)(H,17,19)
InChIKeyYWVJOUUSCSSJPI-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.36
Rot. Bonds5

About 3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide

3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide (PubChem CID 26591854) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
PubChem CID26591854
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccnc1
InChIInChI=1S/C14H12N4O4/c19-13(17-11-4-2-6-15-8-11)9-16-14(20)10-3-1-5-12(7-10)18(21)22/h1-8H,9H2,(H,16,20)(H,17,19)
InChIKeyYWVJOUUSCSSJPI-UHFFFAOYSA-N
XLogP1.36
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide
CID 26679344
3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26592239
2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
CID 167432641
3-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 24626073
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide
CID 70867896
3-nitro-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
CID 26776908
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide
CID 4631764
N-(bromomethyl)-3-nitrobenzamide
CID 152767931
N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]-3-nitrobenzamide
CID 55346094
3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 27662135

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide?
The IUPAC name of 3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide (CID 26591854) is 3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide is O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccnc1.
What is the InChIKey of 3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide?
The InChIKey is YWVJOUUSCSSJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c19-13(17-11-4-2-6-15-8-11)9-16-14(20)10-3-1-5-12(7-10)18(21)22/h1-8H,9H2,(H,16,20)(H,17,19).
What are the key properties of 3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide?
3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide has a molecular weight of 300.27 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide is sourced from PubChem (CID 26591854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).