3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide

C20H25N3O5 — CID 113025389

IUPAC3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCC3CCCO3)cn2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-25-16-9-13(10-17(26-2)19(16)27-3)20(24)23-18-7-6-14(11-22-18)21-12-15-5-4-8-28-15/h6-7,9-11,15,21H,4-5,8,12H2,1-3H3,(H,22,23,24)
InChIKeyQRYRZONTRAYOHT-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.95
Rot. Bonds8

About 3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide

3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide (PubChem CID 113025389) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
PubChem CID113025389
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCC3CCCO3)cn2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-25-16-9-13(10-17(26-2)19(16)27-3)20(24)23-18-7-6-14(11-22-18)21-12-15-5-4-8-28-15/h6-7,9-11,15,21H,4-5,8,12H2,1-3H3,(H,22,23,24)
InChIKeyQRYRZONTRAYOHT-UHFFFAOYSA-N
XLogP2.95
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide 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

3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025379
2-(4-methoxyphenyl)-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113025395
ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate
CID 113025422
3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113025362
N-(2,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185219
2-(4-methylphenoxy)-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113025408
2-(4-methoxyphenyl)-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]acetamide
CID 113010614
N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185142
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161275
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 4958021

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide (CID 113025389) is 3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide is COc1cc(C(=O)Nc2ccc(NCC3CCCO3)cn2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide?
The InChIKey is QRYRZONTRAYOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-25-16-9-13(10-17(26-2)19(16)27-3)20(24)23-18-7-6-14(11-22-18)21-12-15-5-4-8-28-15/h6-7,9-11,15,21H,4-5,8,12H2,1-3H3,(H,22,23,24).
What are the key properties of 3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide?
3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113025389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).