3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C26H24N4O3S — CID 155927662

IUPAC3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc3c2OCCO3)sc2nc3c(cc12)CN(Cc1ccccc1)CC3
InChIInChI=1S/C26H24N4O3S/c27-22-18-13-17-15-30(14-16-5-2-1-3-6-16)10-9-19(17)29-26(18)34-24(22)25(31)28-20-7-4-8-21-23(20)33-12-11-32-21/h1-8,13H,9-12,14-15,27H2,(H,28,31)
InChIKeyVPALAZUUTPBOCL-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.46
Rot. Bonds4

About 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 155927662) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID155927662
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Name3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc3c2OCCO3)sc2nc3c(cc12)CN(Cc1ccccc1)CC3
InChIInChI=1S/C26H24N4O3S/c27-22-18-13-17-15-30(14-16-5-2-1-3-6-16)10-9-19(17)29-26(18)34-24(22)25(31)28-20-7-4-8-21-23(20)33-12-11-32-21/h1-8,13H,9-12,14-15,27H2,(H,28,31)
InChIKeyVPALAZUUTPBOCL-UHFFFAOYSA-N
XLogP4.46
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 155927662) is 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is Nc1c(C(=O)Nc2cccc3c2OCCO3)sc2nc3c(cc12)CN(Cc1ccccc1)CC3.
What is the InChIKey of 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is VPALAZUUTPBOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c27-22-18-13-17-15-30(14-16-5-2-1-3-6-16)10-9-19(17)29-26(18)34-24(22)25(31)28-20-7-4-8-21-23(20)33-12-11-32-21/h1-8,13H,9-12,14-15,27H2,(H,28,31).
What are the key properties of 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 155927662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).