3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C17H14N4O2S — CID 11702815

IUPAC3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(COc2ccc(C#N)cc2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C17H14N4O2S/c1-9-6-11(8-23-12-4-2-10(7-18)3-5-12)13-14(19)15(16(20)22)24-17(13)21-9/h2-6H,8,19H2,1H3,(H2,20,22)
InChIKeyJJFLCXKXCKIYKX-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.74
Rot. Bonds4

About 3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11702815) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID11702815
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(COc2ccc(C#N)cc2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C17H14N4O2S/c1-9-6-11(8-23-12-4-2-10(7-18)3-5-12)13-14(19)15(16(20)22)24-17(13)21-9/h2-6H,8,19H2,1H3,(H2,20,22)
InChIKeyJJFLCXKXCKIYKX-UHFFFAOYSA-N
XLogP2.74
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 11702815) is 3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(COc2ccc(C#N)cc2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JJFLCXKXCKIYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-9-6-11(8-23-12-4-2-10(7-18)3-5-12)13-14(19)15(16(20)22)24-17(13)21-9/h2-6H,8,19H2,1H3,(H2,20,22).
What are the key properties of 3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-cyanophenoxy)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11702815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).