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

C19H21N3O3S — CID 1086445

IUPAC3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)NC(C)C)sc3n2)cc1OC
InChIInChI=1S/C19H21N3O3S/c1-10(2)21-18(23)17-16(20)12-6-7-13(22-19(12)26-17)11-5-8-14(24-3)15(9-11)25-4/h5-10H,20H2,1-4H3,(H,21,23)
InChIKeyCFFHVEUOORRBRV-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.70
Rot. Bonds5

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

3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1086445) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1086445
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)NC(C)C)sc3n2)cc1OC
InChIInChI=1S/C19H21N3O3S/c1-10(2)21-18(23)17-16(20)12-6-7-13(22-19(12)26-17)11-5-8-14(24-3)15(9-11)25-4/h5-10H,20H2,1-4H3,(H,21,23)
InChIKeyCFFHVEUOORRBRV-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1086445) is 3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2ccc3c(N)c(C(=O)NC(C)C)sc3n2)cc1OC.
What is the InChIKey of 3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CFFHVEUOORRBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-10(2)21-18(23)17-16(20)12-6-7-13(22-19(12)26-17)11-5-8-14(24-3)15(9-11)25-4/h5-10H,20H2,1-4H3,(H,21,23).
What are the key properties of 3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.70, 5 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)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1086445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).