3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride

C21H27ClN2O5 — CID 6603369

IUPAC3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)N(Cc2ccccn2)CC2CCCO2)cc(OC)c1OC.Cl
InChIInChI=1S/C21H26N2O5.ClH/c1-25-18-11-15(12-19(26-2)20(18)27-3)21(24)23(14-17-8-6-10-28-17)13-16-7-4-5-9-22-16;/h4-5,7,9,11-12,17H,6,8,10,13-14H2,1-3H3;1H
InChIKeyJPODWFSFBDKILM-UHFFFAOYSA-N
MW422.91 g/mol
LogP3.35
Rot. Bonds8

About 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride

3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 6603369) has the molecular formula C21H27ClN2O5 and a molecular weight of 422.91 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
PubChem CID6603369
Molecular FormulaC21H27ClN2O5
Molecular Weight422.91 g/mol
Exact Mass422.16
IUPAC Name3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)N(Cc2ccccn2)CC2CCCO2)cc(OC)c1OC.Cl
InChIInChI=1S/C21H26N2O5.ClH/c1-25-18-11-15(12-19(26-2)20(18)27-3)21(24)23(14-17-8-6-10-28-17)13-16-7-4-5-9-22-16;/h4-5,7,9,11-12,17H,6,8,10,13-14H2,1-3H3;1H
InChIKeyJPODWFSFBDKILM-UHFFFAOYSA-N
XLogP3.35
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride (CID 6603369) is 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride is COc1cc(C(=O)N(Cc2ccccn2)CC2CCCO2)cc(OC)c1OC.Cl.
What is the InChIKey of 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is JPODWFSFBDKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5.ClH/c1-25-18-11-15(12-19(26-2)20(18)27-3)21(24)23(14-17-8-6-10-28-17)13-16-7-4-5-9-22-16;/h4-5,7,9,11-12,17H,6,8,10,13-14H2,1-3H3;1H.
What are the key properties of 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 422.91 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 6603369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).