2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide

C16H12FN5O3 — CID 86791147

IUPAC2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide
SMILESNc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-n2cccc2)ccc1F
InChIInChI=1S/C16H12FN5O3/c17-13-4-3-10(21-5-1-2-6-21)8-14(13)20-16(23)12-7-11(22(24)25)9-19-15(12)18/h1-9H,(H2,18,19)(H,20,23)
InChIKeyYAPJJXZPFNLUAJ-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.75
Rot. Bonds4

About 2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide

2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide (PubChem CID 86791147) has the molecular formula C16H12FN5O3 and a molecular weight of 341.30 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide
PubChem CID86791147
Molecular FormulaC16H12FN5O3
Molecular Weight341.30 g/mol
Exact Mass341.09
IUPAC Name2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide
SMILESNc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-n2cccc2)ccc1F
InChIInChI=1S/C16H12FN5O3/c17-13-4-3-10(21-5-1-2-6-21)8-14(13)20-16(23)12-7-11(22(24)25)9-19-15(12)18/h1-9H,(H2,18,19)(H,20,23)
InChIKeyYAPJJXZPFNLUAJ-UHFFFAOYSA-N
XLogP2.75
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide
CID 104625777
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644
N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-methylpyridine-3-carboxamide
CID 100626605
N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 62901689
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-methoxyurea
CID 75420852
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
CID 67556047
2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 104589791
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitropyridine-3-carboxamide
CID 104586731

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide (CID 86791147) is 2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide is Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-n2cccc2)ccc1F.
What is the InChIKey of 2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide?
The InChIKey is YAPJJXZPFNLUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O3/c17-13-4-3-10(21-5-1-2-6-21)8-14(13)20-16(23)12-7-11(22(24)25)9-19-15(12)18/h1-9H,(H2,18,19)(H,20,23).
What are the key properties of 2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide?
2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide has a molecular weight of 341.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoro-5-pyrrol-1-ylphenyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 86791147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).