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

C33H25N3OS — CID 3165376

IUPAC3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)N(c4ccccc4)c4ccccc4)sc3n2)cc1
InChIInChI=1S/C33H25N3OS/c1-22-17-19-24(20-18-22)28-21-27(23-11-5-2-6-12-23)29-30(34)31(38-32(29)35-28)33(37)36(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,34H2,1H3
InChIKeyDYJMIJWYKBWRIA-UHFFFAOYSA-N
MW511.65 g/mol
LogP8.50
Rot. Bonds5

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

3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3165376) has the molecular formula C33H25N3OS and a molecular weight of 511.65 g/mol. Its IUPAC name is 3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID3165376
Molecular FormulaC33H25N3OS
Molecular Weight511.65 g/mol
Exact Mass511.17
IUPAC Name3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)N(c4ccccc4)c4ccccc4)sc3n2)cc1
InChIInChI=1S/C33H25N3OS/c1-22-17-19-24(20-18-22)28-21-27(23-11-5-2-6-12-23)29-30(34)31(38-32(29)35-28)33(37)36(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,34H2,1H3
InChIKeyDYJMIJWYKBWRIA-UHFFFAOYSA-N
XLogP8.50
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.65
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide (CID 3165376) is 3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)N(c4ccccc4)c4ccccc4)sc3n2)cc1.
What is the InChIKey of 3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DYJMIJWYKBWRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3OS/c1-22-17-19-24(20-18-22)28-21-27(23-11-5-2-6-12-23)29-30(34)31(38-32(29)35-28)33(37)36(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,34H2,1H3.
What are the key properties of 3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 511.65 g/mol, XLogP of 8.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3165376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).