3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C16H16N4OS2 — CID 912945

IUPAC3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCN1CCc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1
InChIInChI=1S/C16H16N4OS2/c1-20-5-4-9-8(7-20)11(10-3-2-6-22-10)12-13(17)14(15(18)21)23-16(12)19-9/h2-3,6H,4-5,7,17H2,1H3,(H2,18,21)
InChIKeyNDFHQKZWHBNNLB-UHFFFAOYSA-N
MW344.47 g/mol
LogP2.69
Rot. Bonds2

About 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 912945) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID912945
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCN1CCc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1
InChIInChI=1S/C16H16N4OS2/c1-20-5-4-9-8(7-20)11(10-3-2-6-22-10)12-13(17)14(15(18)21)23-16(12)19-9/h2-3,6H,4-5,7,17H2,1H3,(H2,18,21)
InChIKeyNDFHQKZWHBNNLB-UHFFFAOYSA-N
XLogP2.69
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 912945) is 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is CN1CCc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1.
What is the InChIKey of 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is NDFHQKZWHBNNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-20-5-4-9-8(7-20)11(10-3-2-6-22-10)12-13(17)14(15(18)21)23-16(12)19-9/h2-3,6H,4-5,7,17H2,1H3,(H2,18,21).
What are the key properties of 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 912945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).