3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine

C20H21N3O2 — CID 11099738

IUPAC3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine
SMILESCOc1ccc(-c2cc(OCCCN)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-17-8-6-15(7-9-17)16-13-19(18-5-2-3-11-22-18)23-20(14-16)25-12-4-10-21/h2-3,5-9,11,13-14H,4,10,12,21H2,1H3
InChIKeyCTDWAIFVHYNTAE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.55
Rot. Bonds7

About 3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine

3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine (PubChem CID 11099738) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound Name3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine
PubChem CID11099738
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine
SMILESCOc1ccc(-c2cc(OCCCN)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-17-8-6-15(7-9-17)16-13-19(18-5-2-3-11-22-18)23-20(14-16)25-12-4-10-21/h2-3,5-9,11,13-14H,4,10,12,21H2,1H3
InChIKeyCTDWAIFVHYNTAE-UHFFFAOYSA-N
XLogP3.55
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 86064133
4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
3-[[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 175701820
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
[6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]methanol
CID 21195138
5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline
CID 170556563
4-[4-[3-[3,5-bis[3-[3,5-bis[3-(4-tert-butylphenoxy)propoxy]phenoxy]propoxy]phenoxy]propoxy]phenyl]-2,6-dipyridin-2-ylpyridine
CID 101086781
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 100993285
5-methoxy-2-pyridin-2-ylpyridine
CID 604153

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of 3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine (CID 11099738) is 3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for 3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for 3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine is COc1ccc(-c2cc(OCCCN)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is CTDWAIFVHYNTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-17-8-6-15(7-9-17)16-13-19(18-5-2-3-11-22-18)23-20(14-16)25-12-4-10-21/h2-3,5-9,11,13-14H,4,10,12,21H2,1H3.
What are the key properties of 3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine?
3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 335.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 11099738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).