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

C19H21N3O3S — CID 72713211

IUPAC3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1OC
InChIInChI=1S/C19H21N3O3S/c1-10-7-11(2)22-19-15(10)16(20)17(26-19)18(23)21-9-12-5-6-13(24-3)14(8-12)25-4/h5-8H,9,20H2,1-4H3,(H,21,23)
InChIKeyYAWWIBMFHPIZPP-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.44
Rot. Bonds5

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

3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 72713211) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID72713211
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1OC
InChIInChI=1S/C19H21N3O3S/c1-10-7-11(2)22-19-15(10)16(20)17(26-19)18(23)21-9-12-5-6-13(24-3)14(8-12)25-4/h5-8H,9,20H2,1-4H3,(H,21,23)
InChIKeyYAWWIBMFHPIZPP-UHFFFAOYSA-N
XLogP3.44
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 72713881
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713422
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
CID 155277619
N-[(4-methoxy-3-methylphenyl)methyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 121479859
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003782
2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 170908746
3-amino-N-benzyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 69232830
[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 17436057
3-amino-4,6-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 177433907

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 72713211) is 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1OC.
What is the InChIKey of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YAWWIBMFHPIZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-10-7-11(2)22-19-15(10)16(20)17(26-19)18(23)21-9-12-5-6-13(24-3)14(8-12)25-4/h5-8H,9,20H2,1-4H3,(H,21,23).
What are the key properties of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 72713211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).