16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

C28H36N4O5 — CID 14953575

IUPAC16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESc1ccc(-c2cccc(-c3cccc(CN4CCOCCOCCOCCOCCOCC4)n3)n2)nc1
InChIInChI=1S/C28H36N4O5/c1-2-10-29-25(6-1)26-8-4-9-28(31-26)27-7-3-5-24(30-27)23-32-11-13-33-15-17-35-19-21-37-22-20-36-18-16-34-14-12-32/h1-10H,11-23H2
InChIKeyLOPDJEASBYZBKF-UHFFFAOYSA-N
MW508.62 g/mol
LogP3.10
Rot. Bonds4

About 16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (PubChem CID 14953575) has the molecular formula C28H36N4O5 and a molecular weight of 508.62 g/mol. Its IUPAC name is 16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.

Molecular Properties

Compound Name16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
PubChem CID14953575
Molecular FormulaC28H36N4O5
Molecular Weight508.62 g/mol
Exact Mass508.27
IUPAC Name16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESc1ccc(-c2cccc(-c3cccc(CN4CCOCCOCCOCCOCCOCC4)n3)n2)nc1
InChIInChI=1S/C28H36N4O5/c1-2-10-29-25(6-1)26-8-4-9-28(31-26)27-7-3-5-24(30-27)23-32-11-13-33-15-17-35-19-21-37-22-20-36-18-16-34-14-12-32/h1-10H,11-23H2
InChIKeyLOPDJEASBYZBKF-UHFFFAOYSA-N
XLogP3.10
TPSA88.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane with MolForge

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Related Compounds

7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane
CID 100957509
7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 14953567
13-(1,10-phenanthrolin-2-ylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 100957507
6-[[(1R,18R)-14-(pyridin-2-ylmethyl)-2,8,11,17-tetraoxa-5,14-diazabicyclo[16.4.0]docosan-5-yl]methyl]pyridine-2-carboxylic acid
CID 155638397
6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861
2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
CID 132534708
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984
2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one
CID 59750387
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
6-[[16-(4-methyl-1-pyridin-2-ylpentyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 155638398
amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid
CID 174630736
6-[[16-[(4-aminophenyl)-pyridin-2-ylmethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164765926

Frequently Asked Questions

What is the IUPAC name of 16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The IUPAC name of 16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CID 14953575) is 16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.
What is the SMILES notation for 16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The canonical SMILES for 16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is c1ccc(-c2cccc(-c3cccc(CN4CCOCCOCCOCCOCCOCC4)n3)n2)nc1.
What is the InChIKey of 16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The InChIKey is LOPDJEASBYZBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O5/c1-2-10-29-25(6-1)26-8-4-9-28(31-26)27-7-3-5-24(30-27)23-32-11-13-33-15-17-35-19-21-37-22-20-36-18-16-34-14-12-32/h1-10H,11-23H2.
What are the key properties of 16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane has a molecular weight of 508.62 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is sourced from PubChem (CID 14953575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).