2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine

C18H16F2N4O2 — CID 135246704

IUPAC2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine
SMILESCOc1ncccc1-c1cccnc1Oc1ccc(C(F)(F)CN)nc1
InChIInChI=1S/C18H16F2N4O2/c1-25-16-13(4-2-8-22-16)14-5-3-9-23-17(14)26-12-6-7-15(24-10-12)18(19,20)11-21/h2-10H,11,21H2,1H3
InChIKeyZMKGPFZJTDPAHB-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.39
Rot. Bonds6

About 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine

2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine (PubChem CID 135246704) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine
PubChem CID135246704
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine
SMILESCOc1ncccc1-c1cccnc1Oc1ccc(C(F)(F)CN)nc1
InChIInChI=1S/C18H16F2N4O2/c1-25-16-13(4-2-8-22-16)14-5-3-9-23-17(14)26-12-6-7-15(24-10-12)18(19,20)11-21/h2-10H,11,21H2,1H3
InChIKeyZMKGPFZJTDPAHB-UHFFFAOYSA-N
XLogP3.39
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine with MolForge

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Related Compounds

Pilavapadin
CID 118419773
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-(6-methyl-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53465142
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
(2S)-1-(benzyloxy)-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propan-2-amine
CID 10309109
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine?
The IUPAC name of 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine (CID 135246704) is 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine?
The canonical SMILES for 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine is COc1ncccc1-c1cccnc1Oc1ccc(C(F)(F)CN)nc1.
What is the InChIKey of 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine?
The InChIKey is ZMKGPFZJTDPAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-25-16-13(4-2-8-22-16)14-5-3-9-23-17(14)26-12-6-7-15(24-10-12)18(19,20)11-21/h2-10H,11,21H2,1H3.
What are the key properties of 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine?
2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine has a molecular weight of 358.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]-2-pyridinyl]ethanamine is sourced from PubChem (CID 135246704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).