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

C22H19N3O2S — CID 5088202

IUPAC3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1
InChIInChI=1S/C22H19N3O2S/c1-13-4-3-5-15(12-13)24-21(26)20-19(23)17-10-11-18(25-22(17)28-20)14-6-8-16(27-2)9-7-14/h3-12H,23H2,1-2H3,(H,24,26)
InChIKeyBBQSWJLKLXKLCQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.11
Rot. Bonds4

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

3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 5088202) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID5088202
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1
InChIInChI=1S/C22H19N3O2S/c1-13-4-3-5-15(12-13)24-21(26)20-19(23)17-10-11-18(25-22(17)28-20)14-6-8-16(27-2)9-7-14/h3-12H,23H2,1-2H3,(H,24,26)
InChIKeyBBQSWJLKLXKLCQ-UHFFFAOYSA-N
XLogP5.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 5088202) is 3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1.
What is the InChIKey of 3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BBQSWJLKLXKLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-13-4-3-5-15(12-13)24-21(26)20-19(23)17-10-11-18(25-22(17)28-20)14-6-8-16(27-2)9-7-14/h3-12H,23H2,1-2H3,(H,24,26).
What are the key properties of 3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methoxyphenyl)-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 5088202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).