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

C12H10N4O3 — CID 62681915

IUPAC3-amino-4-nitro-N-pyridin-4-ylbenzamide
SMILESNc1cc(C(=O)Nc2ccncc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O3/c13-10-7-8(1-2-11(10)16(18)19)12(17)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15,17)
InChIKeyNGUWACAWDMZJQX-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.82
Rot. Bonds3

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

3-amino-4-nitro-N-pyridin-4-ylbenzamide (PubChem CID 62681915) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-amino-4-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-nitro-N-pyridin-4-ylbenzamide
PubChem CID62681915
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name3-amino-4-nitro-N-pyridin-4-ylbenzamide
SMILESNc1cc(C(=O)Nc2ccncc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O3/c13-10-7-8(1-2-11(10)16(18)19)12(17)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15,17)
InChIKeyNGUWACAWDMZJQX-UHFFFAOYSA-N
XLogP1.82
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.82
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

3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
CID 62680652
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
CID 62681564
3-amino-N-(3-methyl-4-pyridinyl)-4-nitrobenzamide
CID 63670887
3-amino-4-bromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 107813287
N-(3-amino-4-nitrophenyl)benzamide
CID 3685591
4-(1-aminoethyl)-3-nitro-N-pyridin-4-ylbenzamide;dihydrochloride
CID 69077276
3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
CID 62682844
3-amino-N-(2-iodophenyl)-4-nitrobenzamide
CID 62681027
4-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717
3-amino-N-(2-methylphenyl)-4-nitrobenzamide
CID 62682473
3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide
CID 62242721
3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide
CID 107590008

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-amino-4-nitro-N-pyridin-4-ylbenzamide (CID 62681915) is 3-amino-4-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-amino-4-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-amino-4-nitro-N-pyridin-4-ylbenzamide is Nc1cc(C(=O)Nc2ccncc2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-4-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is NGUWACAWDMZJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-10-7-8(1-2-11(10)16(18)19)12(17)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15,17).
What are the key properties of 3-amino-4-nitro-N-pyridin-4-ylbenzamide?
3-amino-4-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 258.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 62681915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).