3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide

C14H14N4O3 — CID 115548148

IUPAC3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
SMILESNc1cccc(C(=O)NCCc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c15-12-6-3-5-11(13(12)18(20)21)14(19)17-9-7-10-4-1-2-8-16-10/h1-6,8H,7,9,15H2,(H,17,19)
InChIKeyBAQAWAVAWHOIBT-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.54
Rot. Bonds5

About 3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide

3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 115548148) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID115548148
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
SMILESNc1cccc(C(=O)NCCc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c15-12-6-3-5-11(13(12)18(20)21)14(19)17-9-7-10-4-1-2-8-16-10/h1-6,8H,7,9,15H2,(H,17,19)
InChIKeyBAQAWAVAWHOIBT-UHFFFAOYSA-N
XLogP1.54
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
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-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 115677648
2-chloro-3-nitro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 64868063
3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitrobenzamide
CID 106050016
3-amino-N-[2-(carbamoylamino)ethyl]-2-nitrobenzamide
CID 83115159
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
CID 61095096
3-amino-N-(2-imidazol-1-ylethyl)-2-nitrobenzamide
CID 115548921
2-amino-6-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 24701596
3-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzamide
CID 115548691
3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 115548346
3-amino-N-(2,2-difluoroethyl)-2-nitrobenzamide
CID 113333576
2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 135138660

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide (CID 115548148) is 3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide is Nc1cccc(C(=O)NCCc2ccccn2)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is BAQAWAVAWHOIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c15-12-6-3-5-11(13(12)18(20)21)14(19)17-9-7-10-4-1-2-8-16-10/h1-6,8H,7,9,15H2,(H,17,19).
What are the key properties of 3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide?
3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 286.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 115548148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).