5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide

C13H11FN4O3 — CID 63328476

IUPAC5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide
SMILESCc1ccncc1NC(=O)c1cc(N)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11FN4O3/c1-7-2-3-16-6-11(7)17-13(19)8-4-10(15)9(14)5-12(8)18(20)21/h2-6H,15H2,1H3,(H,17,19)
InChIKeyUUOLUGTUYMHNQC-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.27
Rot. Bonds3

About 5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide

5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide (PubChem CID 63328476) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide
PubChem CID63328476
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide
SMILESCc1ccncc1NC(=O)c1cc(N)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11FN4O3/c1-7-2-3-16-6-11(7)17-13(19)8-4-10(15)9(14)5-12(8)18(20)21/h2-6H,15H2,1H3,(H,17,19)
InChIKeyUUOLUGTUYMHNQC-UHFFFAOYSA-N
XLogP2.27
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.27
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

5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide
CID 79233095
5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide
CID 62155395
3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide
CID 105066539
5-amino-4-fluoro-2-nitro-N-pyridin-2-ylbenzamide
CID 62154161
5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63671875
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-2-nitrobenzamide
CID 62185341
N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
CID 107595456
5-(methylamino)-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63672242
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide
CID 62165049
4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
CID 62242174

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide?
The IUPAC name of 5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide (CID 63328476) is 5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide.
What is the SMILES notation for 5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide?
The canonical SMILES for 5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide is Cc1ccncc1NC(=O)c1cc(N)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide?
The InChIKey is UUOLUGTUYMHNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c1-7-2-3-16-6-11(7)17-13(19)8-4-10(15)9(14)5-12(8)18(20)21/h2-6H,15H2,1H3,(H,17,19).
What are the key properties of 5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide?
5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide has a molecular weight of 290.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-N-(4-methyl-3-pyridinyl)-2-nitrobenzamide is sourced from PubChem (CID 63328476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).