3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C21H19N3O3S2 — CID 1003782

IUPAC3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1OC
InChIInChI=1S/C21H19N3O3S2/c1-26-15-8-5-12(10-16(15)27-2)11-23-20(25)19-18(22)13-6-7-14(24-21(13)29-19)17-4-3-9-28-17/h3-10H,11,22H2,1-2H3,(H,23,25)
InChIKeyLFSLJSOUUBHPLF-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.55
Rot. Bonds6

About 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1003782) has the molecular formula C21H19N3O3S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1003782
Molecular FormulaC21H19N3O3S2
Molecular Weight425.54 g/mol
Exact Mass425.09
IUPAC Name3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1OC
InChIInChI=1S/C21H19N3O3S2/c1-26-15-8-5-12(10-16(15)27-2)11-23-20(25)19-18(22)13-6-7-14(24-21(13)29-19)17-4-3-9-28-17/h3-10H,11,22H2,1-2H3,(H,23,25)
InChIKeyLFSLJSOUUBHPLF-UHFFFAOYSA-N
XLogP4.55
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003456
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713211
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 72713881
N-[(3,4-dimethoxyphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824137
3-amino-N-(3-methylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1035102
1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 159486708
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-thiophen-2-ylpyrimidin-2-yl)phenoxy]acetamide
CID 1472250
3,6-diamino-5-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970173
3-amino-N-(4-phosphanylphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 170044369
3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 118940972
N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42189410

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1003782) is 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1OC.
What is the InChIKey of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LFSLJSOUUBHPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S2/c1-26-15-8-5-12(10-16(15)27-2)11-23-20(25)19-18(22)13-6-7-14(24-21(13)29-19)17-4-3-9-28-17/h3-10H,11,22H2,1-2H3,(H,23,25).
What are the key properties of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1003782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).