methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate

C21H19N3O3 — CID 164526399

IUPACmethyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNc2ncc(-c3ccncc3)c3c2CCO3)c1
InChIInChI=1S/C21H19N3O3/c1-26-21(25)16-4-2-3-14(11-16)12-23-20-17-7-10-27-19(17)18(13-24-20)15-5-8-22-9-6-15/h2-6,8-9,11,13H,7,10,12H2,1H3,(H,23,24)
InChIKeySMKKOYONAPRBMR-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.48
Rot. Bonds5

About methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate

methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate (PubChem CID 164526399) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate
PubChem CID164526399
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Namemethyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate
SMILESCOC(=O)c1cccc(CNc2ncc(-c3ccncc3)c3c2CCO3)c1
InChIInChI=1S/C21H19N3O3/c1-26-21(25)16-4-2-3-14(11-16)12-23-20-17-7-10-27-19(17)18(13-24-20)15-5-8-22-9-6-15/h2-6,8-9,11,13H,7,10,12H2,1H3,(H,23,24)
InChIKeySMKKOYONAPRBMR-UHFFFAOYSA-N
XLogP3.48
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate?
The IUPAC name of methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate (CID 164526399) is methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate.
What is the SMILES notation for methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate?
The canonical SMILES for methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate is COC(=O)c1cccc(CNc2ncc(-c3ccncc3)c3c2CCO3)c1.
What is the InChIKey of methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate?
The InChIKey is SMKKOYONAPRBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-26-21(25)16-4-2-3-14(11-16)12-23-20-17-7-10-27-19(17)18(13-24-20)15-5-8-22-9-6-15/h2-6,8-9,11,13H,7,10,12H2,1H3,(H,23,24).
What are the key properties of methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate?
methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate has a molecular weight of 361.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate is sourced from PubChem (CID 164526399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).