N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide

C12H14FN3O2 — CID 164559658

IUPACN-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cnc(C(O)=CN)c(F)c1
InChIInChI=1S/C12H14FN3O2/c1-16(12(18)7-2-3-7)8-4-9(13)11(15-6-8)10(17)5-14/h4-7,17H,2-3,14H2,1H3
InChIKeyGCQKWLIFZLAALC-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.41
Rot. Bonds3

About N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide

N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide (PubChem CID 164559658) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide
PubChem CID164559658
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cnc(C(O)=CN)c(F)c1
InChIInChI=1S/C12H14FN3O2/c1-16(12(18)7-2-3-7)8-4-9(13)11(15-6-8)10(17)5-14/h4-7,17H,2-3,14H2,1H3
InChIKeyGCQKWLIFZLAALC-UHFFFAOYSA-N
XLogP1.41
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide (CID 164559658) is N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)c1cnc(C(O)=CN)c(F)c1.
What is the InChIKey of N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide?
The InChIKey is GCQKWLIFZLAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-16(12(18)7-2-3-7)8-4-9(13)11(15-6-8)10(17)5-14/h4-7,17H,2-3,14H2,1H3.
What are the key properties of N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide?
N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide has a molecular weight of 251.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 164559658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).