4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide

C24H26N4O5 — CID 139348368

IUPAC4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide
SMILESCOc1nc(-c2cccc3c2OC(CN)CO3)ccc1Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C24H26N4O5/c1-31-24-20(27-16-7-5-15(6-8-16)23(30)26-11-12-29)10-9-19(28-24)18-3-2-4-21-22(18)33-17(13-25)14-32-21/h2-10,17,27,29H,11-14,25H2,1H3,(H,26,30)
InChIKeyPAMQZDCTRVLXSF-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.32
Rot. Bonds8

About 4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide

4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide (PubChem CID 139348368) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide
PubChem CID139348368
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide
SMILESCOc1nc(-c2cccc3c2OC(CN)CO3)ccc1Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C24H26N4O5/c1-31-24-20(27-16-7-5-15(6-8-16)23(30)26-11-12-29)10-9-19(28-24)18-3-2-4-21-22(18)33-17(13-25)14-32-21/h2-10,17,27,29H,11-14,25H2,1H3,(H,26,30)
InChIKeyPAMQZDCTRVLXSF-UHFFFAOYSA-N
XLogP2.32
TPSA127.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide 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 4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide (CID 139348368) is 4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide is COc1nc(-c2cccc3c2OC(CN)CO3)ccc1Nc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is PAMQZDCTRVLXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-31-24-20(27-16-7-5-15(6-8-16)23(30)26-11-12-29)10-9-19(28-24)18-3-2-4-21-22(18)33-17(13-25)14-32-21/h2-10,17,27,29H,11-14,25H2,1H3,(H,26,30).
What are the key properties of 4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide?
4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 450.50 g/mol, XLogP of 2.32, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methoxy-3-pyridinyl]amino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 139348368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).