2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

C26H28N4O5 — CID 25268785

IUPAC2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCc1cc(-c2cccc(CNc3ccc(Cn4oc(=O)[nH]c4=O)cc3)c2C)c(C)nc1OCCO
InChIInChI=1S/C26H28N4O5/c1-16-13-23(18(3)28-24(16)34-12-11-31)22-6-4-5-20(17(22)2)14-27-21-9-7-19(8-10-21)15-30-25(32)29-26(33)35-30/h4-10,13,27,31H,11-12,14-15H2,1-3H3,(H,29,32,33)
InChIKeyBFYNNEVQFXKBFP-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.15
Rot. Bonds9

About 2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 25268785) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID25268785
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCc1cc(-c2cccc(CNc3ccc(Cn4oc(=O)[nH]c4=O)cc3)c2C)c(C)nc1OCCO
InChIInChI=1S/C26H28N4O5/c1-16-13-23(18(3)28-24(16)34-12-11-31)22-6-4-5-20(17(22)2)14-27-21-9-7-19(8-10-21)15-30-25(32)29-26(33)35-30/h4-10,13,27,31H,11-12,14-15H2,1-3H3,(H,29,32,33)
InChIKeyBFYNNEVQFXKBFP-UHFFFAOYSA-N
XLogP3.15
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 25268785) is 2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is Cc1cc(-c2cccc(CNc3ccc(Cn4oc(=O)[nH]c4=O)cc3)c2C)c(C)nc1OCCO.
What is the InChIKey of 2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is BFYNNEVQFXKBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-16-13-23(18(3)28-24(16)34-12-11-31)22-6-4-5-20(17(22)2)14-27-21-9-7-19(8-10-21)15-30-25(32)29-26(33)35-30/h4-10,13,27,31H,11-12,14-15H2,1-3H3,(H,29,32,33).
What are the key properties of 2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 476.53 g/mol, XLogP of 3.15, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[3-[6-(2-hydroxyethoxy)-2,5-dimethyl-3-pyridinyl]-2-methylphenyl]methylamino]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 25268785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).