16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

C18H30N2O5 — CID 11523230

IUPAC16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESc1cncc(CN2CCOCCOCCOCCOCCOCC2)c1
InChIInChI=1S/C18H30N2O5/c1-2-18(16-19-3-1)17-20-4-6-21-8-10-23-12-14-25-15-13-24-11-9-22-7-5-20/h1-3,16H,4-15,17H2
InChIKeyZMCJNODGKSNGOG-UHFFFAOYSA-N
MW354.45 g/mol
LogP0.98
Rot. Bonds2

About 16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (PubChem CID 11523230) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is 16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.

Molecular Properties

Compound Name16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
PubChem CID11523230
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Name16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
SMILESc1cncc(CN2CCOCCOCCOCCOCCOCC2)c1
InChIInChI=1S/C18H30N2O5/c1-2-18(16-19-3-1)17-20-4-6-21-8-10-23-12-14-25-15-13-24-11-9-22-7-5-20/h1-3,16H,4-15,17H2
InChIKeyZMCJNODGKSNGOG-UHFFFAOYSA-N
XLogP0.98
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 84592394
4-(pyrimidin-5-ylmethyl)morpholine
CID 130750424
1-methanidyl-4-(pyridin-3-ylmethyl)piperazin-1-ium
CID 166017108
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
(7R)-7-(morpholin-4-ylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124911975
N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 77096467
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
morpholin-4-yl-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanone
CID 134075679
(6R)-11-ethyl-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372880

Frequently Asked Questions

What is the IUPAC name of 16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The IUPAC name of 16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CID 11523230) is 16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.
What is the SMILES notation for 16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The canonical SMILES for 16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is c1cncc(CN2CCOCCOCCOCCOCCOCC2)c1.
What is the InChIKey of 16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The InChIKey is ZMCJNODGKSNGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5/c1-2-18(16-19-3-1)17-20-4-6-21-8-10-23-12-14-25-15-13-24-11-9-22-7-5-20/h1-3,16H,4-15,17H2.
What are the key properties of 16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane has a molecular weight of 354.45 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is sourced from PubChem (CID 11523230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).