N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide

C13H12FN3O — CID 64950847

IUPACN-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccncc2F)cc1N
InChIInChI=1S/C13H12FN3O/c1-8-2-3-9(6-12(8)15)17-13(18)10-4-5-16-7-11(10)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyTZPARKZDDLZEJG-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.36
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide

N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 64950847) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID64950847
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccncc2F)cc1N
InChIInChI=1S/C13H12FN3O/c1-8-2-3-9(6-12(8)15)17-13(18)10-4-5-16-7-11(10)14/h2-7H,15H2,1H3,(H,17,18)
InChIKeyTZPARKZDDLZEJG-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

3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950848
N-(2-amino-6-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951439
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
N-(3-fluoro-4-methylphenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071773
N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64951437
N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 81315197
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide (CID 64950847) is N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccncc2F)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is TZPARKZDDLZEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-8-2-3-9(6-12(8)15)17-13(18)10-4-5-16-7-11(10)14/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide?
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide 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 N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64950847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).