3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

C16H15N3O3S — CID 52945741

IUPAC3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(N)=O)sc3n2)cc1OC
InChIInChI=1S/C16H15N3O3S/c1-21-11-6-3-8(7-12(11)22-2)10-5-4-9-13(17)14(15(18)20)23-16(9)19-10/h3-7H,17H2,1-2H3,(H2,18,20)
InChIKeyWNVLYBNHRKGNRP-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.66
Rot. Bonds4

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

3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 52945741) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID52945741
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(N)=O)sc3n2)cc1OC
InChIInChI=1S/C16H15N3O3S/c1-21-11-6-3-8(7-12(11)22-2)10-5-4-9-13(17)14(15(18)20)23-16(9)19-10/h3-7H,17H2,1-2H3,(H2,18,20)
InChIKeyWNVLYBNHRKGNRP-UHFFFAOYSA-N
XLogP2.66
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 52945741) is 3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2ccc3c(N)c(C(N)=O)sc3n2)cc1OC.
What is the InChIKey of 3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WNVLYBNHRKGNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-11-6-3-8(7-12(11)22-2)10-5-4-9-13(17)14(15(18)20)23-16(9)19-10/h3-7H,17H2,1-2H3,(H2,18,20).
What are the key properties of 3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 52945741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).