N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide

C16H16FN3O — CID 89158267

IUPACN-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)C1CC(F)C1
InChIInChI=1S/C16H16FN3O/c17-13-7-12(8-13)16(21)20-15-9-11(1-2-14(15)18)10-3-5-19-6-4-10/h1-6,9,12-13H,7-8,18H2,(H,20,21)
InChIKeyDVIBHNJQIYSKIJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.02
Rot. Bonds3

About N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide

N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide (PubChem CID 89158267) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide
PubChem CID89158267
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)C1CC(F)C1
InChIInChI=1S/C16H16FN3O/c17-13-7-12(8-13)16(21)20-15-9-11(1-2-14(15)18)10-3-5-19-6-4-10/h1-6,9,12-13H,7-8,18H2,(H,20,21)
InChIKeyDVIBHNJQIYSKIJ-UHFFFAOYSA-N
XLogP3.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide?
The IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide (CID 89158267) is N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide is Nc1ccc(-c2ccncc2)cc1NC(=O)C1CC(F)C1.
What is the InChIKey of N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide?
The InChIKey is DVIBHNJQIYSKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-13-7-12(8-13)16(21)20-15-9-11(1-2-14(15)18)10-3-5-19-6-4-10/h1-6,9,12-13H,7-8,18H2,(H,20,21).
What are the key properties of N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide?
N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide is sourced from PubChem (CID 89158267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).