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

C26H26N4O2S — CID 155805415

IUPAC3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)c1C
InChIInChI=1S/C26H26N4O2S/c1-16-20(9-6-10-22(16)32-2)28-25(31)24-23(27)19-13-18-15-30(14-17-7-4-3-5-8-17)12-11-21(18)29-26(19)33-24/h3-10,13H,11-12,14-15,27H2,1-2H3,(H,28,31)
InChIKeyBTSDKIGEAVUGMQ-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.01
Rot. Bonds5

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

3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 155805415) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is 3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID155805415
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC Name3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)c1C
InChIInChI=1S/C26H26N4O2S/c1-16-20(9-6-10-22(16)32-2)28-25(31)24-23(27)19-13-18-15-30(14-17-7-4-3-5-8-17)12-11-21(18)29-26(19)33-24/h3-10,13H,11-12,14-15,27H2,1-2H3,(H,28,31)
InChIKeyBTSDKIGEAVUGMQ-UHFFFAOYSA-N
XLogP5.01
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide 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 3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 155805415) is 3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-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-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)c1C.
What is the InChIKey of 3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is BTSDKIGEAVUGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-16-20(9-6-10-22(16)32-2)28-25(31)24-23(27)19-13-18-15-30(14-17-7-4-3-5-8-17)12-11-21(18)29-26(19)33-24/h3-10,13H,11-12,14-15,27H2,1-2H3,(H,28,31).
What are the key properties of 3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-6-benzyl-N-(3-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 5.01, 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-methoxy-2-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 155805415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).