N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide

C13H9FN4O — CID 55230967

IUPACN-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(F)cc2N)nc1
InChIInChI=1S/C13H9FN4O/c14-9-2-4-11(10(16)5-9)18-13(19)12-3-1-8(6-15)7-17-12/h1-5,7H,16H2,(H,18,19)
InChIKeyQZZRZGBAGWKDHB-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.93
Rot. Bonds2

About N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide

N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide (PubChem CID 55230967) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
PubChem CID55230967
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC NameN-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(F)cc2N)nc1
InChIInChI=1S/C13H9FN4O/c14-9-2-4-11(10(16)5-9)18-13(19)12-3-1-8(6-15)7-17-12/h1-5,7H,16H2,(H,18,19)
InChIKeyQZZRZGBAGWKDHB-UHFFFAOYSA-N
XLogP1.93
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.93
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-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479
5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 55229412
N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
CID 63724359
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298380
N-(2-amino-4-cyanophenyl)-2-bromo-5-fluorobenzamide
CID 78965687
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 113245238
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide (CID 55230967) is N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2ccc(F)cc2N)nc1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
The InChIKey is QZZRZGBAGWKDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c14-9-2-4-11(10(16)5-9)18-13(19)12-3-1-8(6-15)7-17-12/h1-5,7H,16H2,(H,18,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide has a molecular weight of 256.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 55230967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).