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

C26H24N4O3S — CID 155927801

IUPAC3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc3c(cc12)CN(Cc1ccccc1)CC3
InChIInChI=1S/C26H24N4O3S/c27-23-19-12-17-15-30(14-16-4-2-1-3-5-16)9-8-20(17)29-26(19)34-24(23)25(31)28-18-6-7-21-22(13-18)33-11-10-32-21/h1-7,12-13H,8-11,14-15,27H2,(H,28,31)
InChIKeyFNQXCBPETZOZDF-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.46
Rot. Bonds4

About 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-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-6-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 155927801) 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-6-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-6-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID155927801
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Name3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc3c(cc12)CN(Cc1ccccc1)CC3
InChIInChI=1S/C26H24N4O3S/c27-23-19-12-17-15-30(14-16-4-2-1-3-5-16)9-8-20(17)29-26(19)34-24(23)25(31)28-18-6-7-21-22(13-18)33-11-10-32-21/h1-7,12-13H,8-11,14-15,27H2,(H,28,31)
InChIKeyFNQXCBPETZOZDF-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-6-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide with MolForge

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Related Compounds

6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23858453
3-amino-6-benzyl-N-quinolin-8-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 155927491
benzyl 3-amino-2-(phenylcarbamoyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-6-carboxylate
CID 155808556
3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866585
3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866592
3-amino-N-(4-ethoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866586
3-amino-N-(2-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866587
2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35534478
3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1005081
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23972316
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741600
3-amino-N-(3-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23803874

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-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-6-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 155927801) is 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-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-6-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-6-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc3c(cc12)CN(Cc1ccccc1)CC3.
What is the InChIKey of 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is FNQXCBPETZOZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c27-23-19-12-17-15-30(14-16-4-2-1-3-5-16)9-8-20(17)29-26(19)34-24(23)25(31)28-18-6-7-21-22(13-18)33-11-10-32-21/h1-7,12-13H,8-11,14-15,27H2,(H,28,31).
What are the key properties of 3-amino-6-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-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-6-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-6-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 155927801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).