2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide

C13H12FN3O — CID 112687750

IUPAC2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2N)nc1
InChIInChI=1S/C13H12FN3O/c1-8-2-5-12(16-7-8)17-13(18)10-4-3-9(14)6-11(10)15/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyXPBWNGUCFUGCOX-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.36
Rot. Bonds2

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

2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 112687750) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID112687750
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2N)nc1
InChIInChI=1S/C13H12FN3O/c1-8-2-5-12(16-7-8)17-13(18)10-4-3-9(14)6-11(10)15/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyXPBWNGUCFUGCOX-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

2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide
CID 113228212
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium
CID 163865658
2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 81355507
2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
[4,5-difluoro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-hydroxyazanium
CID 142112043

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide (CID 112687750) is 2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2ccc(F)cc2N)nc1.
What is the InChIKey of 2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is XPBWNGUCFUGCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-8-2-5-12(16-7-8)17-13(18)10-4-3-9(14)6-11(10)15/h2-7H,15H2,1H3,(H,16,17,18).
What are the key properties of 2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide?
2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide 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 2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 112687750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).