3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide

C23H22N4O3S — CID 44626302

IUPAC3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1
InChIInChI=1S/C23H22N4O3S/c1-14-11-18(30-13-16-7-9-25-10-8-16)27-23-19(14)20(24)21(31-23)22(28)26-12-15-3-5-17(29-2)6-4-15/h3-11H,12-13,24H2,1-2H3,(H,26,28)
InChIKeySQYWIIOLILGBPF-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.10
Rot. Bonds7

About 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 44626302) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID44626302
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1
InChIInChI=1S/C23H22N4O3S/c1-14-11-18(30-13-16-7-9-25-10-8-16)27-23-19(14)20(24)21(31-23)22(28)26-12-15-3-5-17(29-2)6-4-15/h3-11H,12-13,24H2,1-2H3,(H,26,28)
InChIKeySQYWIIOLILGBPF-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide (CID 44626302) is 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1.
What is the InChIKey of 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SQYWIIOLILGBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14-11-18(30-13-16-7-9-25-10-8-16)27-23-19(14)20(24)21(31-23)22(28)26-12-15-3-5-17(29-2)6-4-15/h3-11H,12-13,24H2,1-2H3,(H,26,28).
What are the key properties of 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 44626302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).