N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine

C13H14FN3O — CID 99776830

IUPACN-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine
SMILESCOc1ncccc1N[C@@H](C)c1cncc(F)c1
InChIInChI=1S/C13H14FN3O/c1-9(10-6-11(14)8-15-7-10)17-12-4-3-5-16-13(12)18-2/h3-9,17H,1-2H3/t9-/m0/s1
InChIKeyFYDIIUXSSQMWGS-VIFPVBQESA-N
MW247.27 g/mol
LogP2.80
Rot. Bonds4

About N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine

N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine (PubChem CID 99776830) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine
PubChem CID99776830
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine
SMILESCOc1ncccc1N[C@@H](C)c1cncc(F)c1
InChIInChI=1S/C13H14FN3O/c1-9(10-6-11(14)8-15-7-10)17-12-4-3-5-16-13(12)18-2/h3-9,17H,1-2H3/t9-/m0/s1
InChIKeyFYDIIUXSSQMWGS-VIFPVBQESA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxypyridin-3-amine
CID 83075504
2-methoxy-N-(1-naphthalen-2-ylethyl)pyridin-3-amine
CID 43721905
2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64829776
N-[1-(2-fluorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721902
N-[1-(3-fluorophenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374230
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline
CID 103935877
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
CID 113354817
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
CID 103930916
N-(1-cyclopropylethyl)-2-methoxypyridin-3-amine
CID 43721910
2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 43721921
N-[1-(2-chlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721825

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine?
The IUPAC name of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine (CID 99776830) is N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine.
What is the SMILES notation for N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine?
The canonical SMILES for N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine is COc1ncccc1N[C@@H](C)c1cncc(F)c1.
What is the InChIKey of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine?
The InChIKey is FYDIIUXSSQMWGS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9(10-6-11(14)8-15-7-10)17-12-4-3-5-16-13(12)18-2/h3-9,17H,1-2H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine?
N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine has a molecular weight of 247.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-2-methoxypyridin-3-amine is sourced from PubChem (CID 99776830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).