N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide

C13H12FN3O2 — CID 115736435

IUPACN-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cncc(F)c2)c1
InChIInChI=1S/C13H12FN3O2/c1-19-10-2-3-11(15)12(5-10)17-13(18)8-4-9(14)7-16-6-8/h2-7H,15H2,1H3,(H,17,18)
InChIKeyVNLJKRKQMSUTOJ-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.06
Rot. Bonds3

About N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide

N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide (PubChem CID 115736435) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide
PubChem CID115736435
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cncc(F)c2)c1
InChIInChI=1S/C13H12FN3O2/c1-19-10-2-3-11(15)12(5-10)17-13(18)8-4-9(14)7-16-6-8/h2-7H,15H2,1H3,(H,17,18)
InChIKeyVNLJKRKQMSUTOJ-UHFFFAOYSA-N
XLogP2.06
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(difluoromethoxy)phenyl)picolinamide
CID 44189740
N-(4-fluoro-3-methoxyphenyl)picolinamide
CID 42644786
N-(3-methoxy-4-methylphenyl)picolinamide
CID 44191178
N-(3-methoxyphenyl)nicotinamide
CID 668900
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 532822
2-Chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 840301
N-(3-(trifluoromethoxy)phenyl)picolinamide
CID 38032499
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 155529322
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 155547147
2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 1478065
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide (CID 115736435) is N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide is COc1ccc(N)c(NC(=O)c2cncc(F)c2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is VNLJKRKQMSUTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-19-10-2-3-11(15)12(5-10)17-13(18)8-4-9(14)7-16-6-8/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide?
N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 115736435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).