N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide

C15H14FN3O2 — CID 118231309

IUPACN-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide
SMILESNc1cc(F)cc(Oc2ccnc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C15H14FN3O2/c16-10-5-11(17)7-13(6-10)21-12-3-4-18-14(8-12)19-15(20)9-1-2-9/h3-9H,1-2,17H2,(H,18,19,20)
InChIKeyYXFQQDADOUUMFW-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.94
Rot. Bonds4

About N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide

N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118231309) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118231309
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide
SMILESNc1cc(F)cc(Oc2ccnc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C15H14FN3O2/c16-10-5-11(17)7-13(6-10)21-12-3-4-18-14(8-12)19-15(20)9-1-2-9/h3-9H,1-2,17H2,(H,18,19,20)
InChIKeyYXFQQDADOUUMFW-UHFFFAOYSA-N
XLogP2.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide (CID 118231309) is N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide is Nc1cc(F)cc(Oc2ccnc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is YXFQQDADOUUMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-10-5-11(17)7-13(6-10)21-12-3-4-18-14(8-12)19-15(20)9-1-2-9/h3-9H,1-2,17H2,(H,18,19,20).
What are the key properties of N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide?
N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-5-fluorophenoxy)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118231309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).