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

C23H21N3O3S — CID 1239621

IUPAC3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC)cc4C)sc3n2)c1
InChIInChI=1S/C23H21N3O3S/c1-13-11-16(29-3)7-9-18(13)25-22(27)21-20(24)17-8-10-19(26-23(17)30-21)14-5-4-6-15(12-14)28-2/h4-12H,24H2,1-3H3,(H,25,27)
InChIKeyJCIYUUXYOCNUML-UHFFFAOYSA-N
MW419.51 g/mol
LogP5.12
Rot. Bonds5

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

3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1239621) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1239621
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC)cc4C)sc3n2)c1
InChIInChI=1S/C23H21N3O3S/c1-13-11-16(29-3)7-9-18(13)25-22(27)21-20(24)17-8-10-19(26-23(17)30-21)14-5-4-6-15(12-14)28-2/h4-12H,24H2,1-3H3,(H,25,27)
InChIKeyJCIYUUXYOCNUML-UHFFFAOYSA-N
XLogP5.12
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1239621) is 3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC)cc4C)sc3n2)c1.
What is the InChIKey of 3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JCIYUUXYOCNUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-13-11-16(29-3)7-9-18(13)25-22(27)21-20(24)17-8-10-19(26-23(17)30-21)14-5-4-6-15(12-14)28-2/h4-12H,24H2,1-3H3,(H,25,27).
What are the key properties of 3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1239621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).