2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide

C14H14N4O3 — CID 103733862

IUPAC2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide
SMILESCCN(C(=O)c1cccc([N+](=O)[O-])c1N)c1ccncc1
InChIInChI=1S/C14H14N4O3/c1-2-17(10-6-8-16-9-7-10)14(19)11-4-3-5-12(13(11)15)18(20)21/h3-9H,2,15H2,1H3
InChIKeyAALOACVXVRQLLI-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.24
Rot. Bonds4

About 2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide

2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide (PubChem CID 103733862) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide
PubChem CID103733862
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide
SMILESCCN(C(=O)c1cccc([N+](=O)[O-])c1N)c1ccncc1
InChIInChI=1S/C14H14N4O3/c1-2-17(10-6-8-16-9-7-10)14(19)11-4-3-5-12(13(11)15)18(20)21/h3-9H,2,15H2,1H3
InChIKeyAALOACVXVRQLLI-UHFFFAOYSA-N
XLogP2.24
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-amino-N,N-dimethyl-3-nitrobenzamide
CID 58736106
2-amino-N-butan-2-yl-N-ethyl-3-nitrobenzamide
CID 112580586
N-ethyl-3-hydroxy-2-methyl-N-pyridin-4-ylbenzamide
CID 106936106
2-amino-N-ethyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 115678872
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide
CID 103191098
2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 115678617
2-amino-N-[(4-methyl-3-pyridinyl)methyl]-3-nitrobenzamide
CID 114957471
2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide
CID 112551984
2-amino-N-ethyl-6-methyl-N-pyridin-4-ylbenzamide
CID 106934342
N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 3286092
2-amino-N-(1-cyanopropan-2-yl)-N-methyl-3-nitrobenzamide
CID 112696662
2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide
CID 115703339

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide (CID 103733862) is 2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide is CCN(C(=O)c1cccc([N+](=O)[O-])c1N)c1ccncc1.
What is the InChIKey of 2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is AALOACVXVRQLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-2-17(10-6-8-16-9-7-10)14(19)11-4-3-5-12(13(11)15)18(20)21/h3-9H,2,15H2,1H3.
What are the key properties of 2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide?
2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 103733862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).