N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine

C16H15F4N3O — CID 133338759

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESFc1nc(F)c(F)c(NCc2cccnc2OC2CCCC2)c1F
InChIInChI=1S/C16H15F4N3O/c17-11-13(12(18)15(20)23-14(11)19)22-8-9-4-3-7-21-16(9)24-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H,22,23)
InChIKeyGONVARSDYGSSOE-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.97
Rot. Bonds5

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 133338759) has the molecular formula C16H15F4N3O and a molecular weight of 341.31 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID133338759
Molecular FormulaC16H15F4N3O
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESFc1nc(F)c(F)c(NCc2cccnc2OC2CCCC2)c1F
InChIInChI=1S/C16H15F4N3O/c17-11-13(12(18)15(20)23-14(11)19)22-8-9-4-3-7-21-16(9)24-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H,22,23)
InChIKeyGONVARSDYGSSOE-UHFFFAOYSA-N
XLogP3.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
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-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine (CID 133338759) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine is Fc1nc(F)c(F)c(NCc2cccnc2OC2CCCC2)c1F.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is GONVARSDYGSSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O/c17-11-13(12(18)15(20)23-14(11)19)22-8-9-4-3-7-21-16(9)24-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H,22,23).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 341.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 133338759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).