10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione

C16H25N5O3 — CID 11163467

IUPAC10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione
SMILESCOCc1cccc(CN2CCNC(=O)CNCC(=O)NCC2)n1
InChIInChI=1S/C16H25N5O3/c1-24-12-14-4-2-3-13(20-14)11-21-7-5-18-15(22)9-17-10-16(23)19-6-8-21/h2-4,17H,5-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyQYFBYWRAASEXBW-UHFFFAOYSA-N
MW335.41 g/mol
LogP-1.13
Rot. Bonds4

About 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione

10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione (PubChem CID 11163467) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione.

Molecular Properties

Compound Name10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione
PubChem CID11163467
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione
SMILESCOCc1cccc(CN2CCNC(=O)CNCC(=O)NCC2)n1
InChIInChI=1S/C16H25N5O3/c1-24-12-14-4-2-3-13(20-14)11-21-7-5-18-15(22)9-17-10-16(23)19-6-8-21/h2-4,17H,5-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyQYFBYWRAASEXBW-UHFFFAOYSA-N
XLogP-1.13
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione 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

1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
4-[(6-amino-2-pyridinyl)methyl]piperazin-2-one
CID 79243693
dibromocobalt;1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine
CID 154596524
1-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-5-one
CID 79232293
4-[[6-(ethylamino)-2-pyridinyl]methyl]-1,4-diazepan-2-one
CID 79233656
tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane
CID 168728213
8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449681
1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine
CID 138472326
1-[(6-methyl-2-pyridinyl)methyl]imidazolidin-2-one
CID 115370613
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933

Frequently Asked Questions

What is the IUPAC name of 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione?
The IUPAC name of 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione (CID 11163467) is 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione.
What is the SMILES notation for 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione?
The canonical SMILES for 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione is COCc1cccc(CN2CCNC(=O)CNCC(=O)NCC2)n1.
What is the InChIKey of 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione?
The InChIKey is QYFBYWRAASEXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-24-12-14-4-2-3-13(20-14)11-21-7-5-18-15(22)9-17-10-16(23)19-6-8-21/h2-4,17H,5-12H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione?
10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione has a molecular weight of 335.41 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione is sourced from PubChem (CID 11163467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).