N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide

C13H12FN3O — CID 113435772

IUPACN-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
SMILESNc1ccc(CNC(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C13H12FN3O/c14-10-3-6-12(16-8-10)13(18)17-7-9-1-4-11(15)5-2-9/h1-6,8H,7,15H2,(H,17,18)
InChIKeyQROOARCVCPGWHL-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.73
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide

N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide (PubChem CID 113435772) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
PubChem CID113435772
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
SMILESNc1ccc(CNC(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C13H12FN3O/c14-10-3-6-12(16-8-10)13(18)17-7-9-1-4-11(15)5-2-9/h1-6,8H,7,15H2,(H,17,18)
InChIKeyQROOARCVCPGWHL-UHFFFAOYSA-N
XLogP1.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 104638128
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776
N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 104638035
5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 81310942
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
CID 44540008
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 60858368
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide
CID 89088351

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide (CID 113435772) is N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide is Nc1ccc(CNC(=O)c2ccc(F)cn2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is QROOARCVCPGWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-10-3-6-12(16-8-10)13(18)17-7-9-1-4-11(15)5-2-9/h1-6,8H,7,15H2,(H,17,18).
What are the key properties of N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide?
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 245.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 113435772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).