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

C25H24N4O2S — CID 20866562

IUPAC3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)c1
InChIInChI=1S/C25H24N4O2S/c1-31-19-9-5-8-18(13-19)27-24(30)23-22(26)20-12-17-15-29(14-16-6-3-2-4-7-16)11-10-21(17)28-25(20)32-23/h2-9,12-13H,10-11,14-15,26H2,1H3,(H,27,30)
InChIKeyPMAJJWRGHROGIS-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.70
Rot. Bonds5

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

3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 20866562) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is 3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID20866562
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)c1
InChIInChI=1S/C25H24N4O2S/c1-31-19-9-5-8-18(13-19)27-24(30)23-22(26)20-12-17-15-29(14-16-6-3-2-4-7-16)11-10-21(17)28-25(20)32-23/h2-9,12-13H,10-11,14-15,26H2,1H3,(H,27,30)
InChIKeyPMAJJWRGHROGIS-UHFFFAOYSA-N
XLogP4.70
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 20866562) is 3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)c1.
What is the InChIKey of 3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is PMAJJWRGHROGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-31-19-9-5-8-18(13-19)27-24(30)23-22(26)20-12-17-15-29(14-16-6-3-2-4-7-16)11-10-21(17)28-25(20)32-23/h2-9,12-13H,10-11,14-15,26H2,1H3,(H,27,30).
What are the key properties of 3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-benzyl-N-(3-methoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 20866562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).