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

C13H12FN3O — CID 113228212

IUPAC2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(F)cc2N)c1
InChIInChI=1S/C13H12FN3O/c1-8-4-5-16-12(6-8)17-13(18)10-3-2-9(14)7-11(10)15/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyMYDZILSKDJVQEI-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.36
Rot. Bonds2

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

2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 113228212) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID113228212
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(F)cc2N)c1
InChIInChI=1S/C13H12FN3O/c1-8-4-5-16-12(6-8)17-13(18)10-3-2-9(14)7-11(10)15/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyMYDZILSKDJVQEI-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-(5-methyl-2-pyridinyl)benzamide
CID 112687750
4-amino-6-methyl-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81236114
3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide
CID 61207819
6-fluoro-2-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732260
6-amino-N-(4-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 103542804
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
CID 114052160
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856
5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
CID 82547054
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
4-bromo-2-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 47435797
4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 107073933

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide (CID 113228212) is 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(F)cc2N)c1.
What is the InChIKey of 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is MYDZILSKDJVQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-8-4-5-16-12(6-8)17-13(18)10-3-2-9(14)7-11(10)15/h2-7H,15H2,1H3,(H,16,17,18).
What are the key properties of 2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide?
2-amino-4-fluoro-N-(4-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-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 113228212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).