5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide

C13H12FN3O — CID 107594566

IUPAC5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccncc1F
InChIInChI=1S/C13H12FN3O/c1-8-2-3-9(15)6-10(8)13(18)17-12-4-5-16-7-11(12)14/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyAUDLPXWVIVUOIX-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.36
Rot. Bonds2

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

5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide (PubChem CID 107594566) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
PubChem CID107594566
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccncc1F
InChIInChI=1S/C13H12FN3O/c1-8-2-3-9(15)6-10(8)13(18)17-12-4-5-16-7-11(12)14/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyAUDLPXWVIVUOIX-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594537
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
5-amino-2-chloro-N-(4-methyl-3-pyridinyl)benzamide
CID 55202646
N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 64950063
5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107641249
N-(3-fluoro-4-pyridinyl)-3-hydrazinylpyridine-4-carboxamide
CID 107595570
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949859
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178
N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
CID 105062950

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide (CID 107594566) is 5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1ccncc1F.
What is the InChIKey of 5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide?
The InChIKey is AUDLPXWVIVUOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-8-2-3-9(15)6-10(8)13(18)17-12-4-5-16-7-11(12)14/h2-7H,15H2,1H3,(H,16,17,18).
What are the key properties of 5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide?
5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide has a molecular weight of 245.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide is sourced from PubChem (CID 107594566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).