2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine

C20H21N3O3 — CID 58781430

IUPAC2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine
SMILESCCOc1ccnc(-c2cc(OC)cc(-c3cc(OCC)ccn3)n2)c1
InChIInChI=1S/C20H21N3O3/c1-4-25-14-6-8-21-17(10-14)19-12-16(24-3)13-20(23-19)18-11-15(26-5-2)7-9-22-18/h6-13H,4-5H2,1-3H3
InChIKeyPMDJXLLGRUNWOD-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.01
Rot. Bonds7

About 2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine

2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine (PubChem CID 58781430) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine.

Molecular Properties

Compound Name2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine
PubChem CID58781430
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine
SMILESCCOc1ccnc(-c2cc(OC)cc(-c3cc(OCC)ccn3)n2)c1
InChIInChI=1S/C20H21N3O3/c1-4-25-14-6-8-21-17(10-14)19-12-16(24-3)13-20(23-19)18-11-15(26-5-2)7-9-22-18/h6-13H,4-5H2,1-3H3
InChIKeyPMDJXLLGRUNWOD-UHFFFAOYSA-N
XLogP4.01
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Caerulomycin A
CID 135514797
4,4'-Dimethoxy-2,2'-bipyridyl
CID 2733927
2-Piperdin-1-ylmethyl-5-(3-piperdin-1-yl-propoxy)-pyridine
CID 11174563
Caeurolomycin A
CID 159917
Caerulomycin
CID 135478684
Caerulomycinonitrile
CID 13586798
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
4-[5-(3-Piperidin-1-yl-propoxy)-pyridin-2-ylmethyl]-morpholine
CID 11638322
4-[5-[(2-Carbamimidoyl-4-pyridinyl)oxy]pentoxy]pyridine-2-carboximidamide
CID 44220284
Caerulomycin F
CID 25192237
4'-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 630929
2-{[3-(Pyridin-4-yloxy)cyclohex-1-en-1-yl]ethynyl}pyridine
CID 44403648

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine?
The IUPAC name of 2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine (CID 58781430) is 2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine.
What is the SMILES notation for 2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine?
The canonical SMILES for 2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine is CCOc1ccnc(-c2cc(OC)cc(-c3cc(OCC)ccn3)n2)c1.
What is the InChIKey of 2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine?
The InChIKey is PMDJXLLGRUNWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-25-14-6-8-21-17(10-14)19-12-16(24-3)13-20(23-19)18-11-15(26-5-2)7-9-22-18/h6-13H,4-5H2,1-3H3.
What are the key properties of 2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine?
2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine has a molecular weight of 351.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-ethoxy-2-pyridinyl)-4-methoxypyridine is sourced from PubChem (CID 58781430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).