7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane

C24H36N4O3 — CID 100957509

IUPAC7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane
SMILESc1ccc(-c2cccc(CN3CCOCCNCCCCCOCCOCC3)n2)nc1
InChIInChI=1S/C24H36N4O3/c1-3-10-25-12-16-30-17-13-28(14-18-31-20-19-29-15-5-1)21-22-7-6-9-24(27-22)23-8-2-4-11-26-23/h2,4,6-9,11,25H,1,3,5,10,12-21H2
InChIKeyKDURJONYOMTOGH-UHFFFAOYSA-N
MW428.58 g/mol
LogP2.77
Rot. Bonds3

About 7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane

7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane (PubChem CID 100957509) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane.

Molecular Properties

Compound Name7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane
PubChem CID100957509
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane
SMILESc1ccc(-c2cccc(CN3CCOCCNCCCCCOCCOCC3)n2)nc1
InChIInChI=1S/C24H36N4O3/c1-3-10-25-12-16-30-17-13-28(14-18-31-20-19-29-15-5-1)21-22-7-6-9-24(27-22)23-8-2-4-11-26-23/h2,4,6-9,11,25H,1,3,5,10,12-21H2
InChIKeyKDURJONYOMTOGH-UHFFFAOYSA-N
XLogP2.77
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 14953575
7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 14953567
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
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
2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
CID 132534708
13-(1,10-phenanthrolin-2-ylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 100957507
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one
CID 59750387
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
N-methyl-6-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 79231761

Frequently Asked Questions

What is the IUPAC name of 7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane?
The IUPAC name of 7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane (CID 100957509) is 7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane.
What is the SMILES notation for 7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane?
The canonical SMILES for 7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane is c1ccc(-c2cccc(CN3CCOCCNCCCCCOCCOCC3)n2)nc1.
What is the InChIKey of 7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane?
The InChIKey is KDURJONYOMTOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-3-10-25-12-16-30-17-13-28(14-18-31-20-19-29-15-5-1)21-22-7-6-9-24(27-22)23-8-2-4-11-26-23/h2,4,6-9,11,25H,1,3,5,10,12-21H2.
What are the key properties of 7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane?
7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane has a molecular weight of 428.58 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-pyridin-2-yl-2-pyridinyl)methyl]-1,4,10-trioxa-7,13-diazacyclooctadecane is sourced from PubChem (CID 100957509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).