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

C23H22N4O3S — CID 1086319

IUPAC3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1OC
InChIInChI=1S/C23H22N4O3S/c1-29-18-6-3-14(13-19(18)30-2)7-12-26-22(28)21-20(24)16-4-5-17(27-23(16)31-21)15-8-10-25-11-9-15/h3-6,8-11,13H,7,12,24H2,1-2H3,(H,26,28)
InChIKeyQHVGSMBQJNRQTH-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.93
Rot. Bonds7

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

3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1086319) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1086319
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1OC
InChIInChI=1S/C23H22N4O3S/c1-29-18-6-3-14(13-19(18)30-2)7-12-26-22(28)21-20(24)16-4-5-17(27-23(16)31-21)15-8-10-25-11-9-15/h3-6,8-11,13H,7,12,24H2,1-2H3,(H,26,28)
InChIKeyQHVGSMBQJNRQTH-UHFFFAOYSA-N
XLogP3.93
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1086319) is 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(CCNC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1OC.
What is the InChIKey of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QHVGSMBQJNRQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-29-18-6-3-14(13-19(18)30-2)7-12-26-22(28)21-20(24)16-4-5-17(27-23(16)31-21)15-8-10-25-11-9-15/h3-6,8-11,13H,7,12,24H2,1-2H3,(H,26,28).
What are the key properties of 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1086319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).