N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine

C12H18FN3O — CID 23227125

IUPACN-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
SMILESCCNc1cc(OCC2CCCN2)cnc1F
InChIInChI=1S/C12H18FN3O/c1-2-14-11-6-10(7-16-12(11)13)17-8-9-4-3-5-15-9/h6-7,9,14-15H,2-5,8H2,1H3
InChIKeyVQVTZMZMFLFUGJ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.78
Rot. Bonds5

About N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine

N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine (PubChem CID 23227125) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
PubChem CID23227125
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
SMILESCCNc1cc(OCC2CCCN2)cnc1F
InChIInChI=1S/C12H18FN3O/c1-2-14-11-6-10(7-16-12(11)13)17-8-9-4-3-5-15-9/h6-7,9,14-15H,2-5,8H2,1H3
InChIKeyVQVTZMZMFLFUGJ-UHFFFAOYSA-N
XLogP1.78
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine?
The IUPAC name of N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine (CID 23227125) is N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine.
What is the SMILES notation for N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine?
The canonical SMILES for N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine is CCNc1cc(OCC2CCCN2)cnc1F.
What is the InChIKey of N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine?
The InChIKey is VQVTZMZMFLFUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-14-11-6-10(7-16-12(11)13)17-8-9-4-3-5-15-9/h6-7,9,14-15H,2-5,8H2,1H3.
What are the key properties of N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine?
N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine has a molecular weight of 239.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine is sourced from PubChem (CID 23227125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).