3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C30H27N3O4S — CID 3133270

IUPAC3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccc(OC)cc4OC)sc3n2)cc1
InChIInChI=1S/C30H27N3O4S/c1-4-37-20-12-10-19(11-13-20)24-17-22(18-8-6-5-7-9-18)26-27(31)28(38-30(26)33-24)29(34)32-23-15-14-21(35-2)16-25(23)36-3/h5-17H,4,31H2,1-3H3,(H,32,34)
InChIKeyAGAGGDFAMSOSND-UHFFFAOYSA-N
MW525.63 g/mol
LogP6.88
Rot. Bonds8

About 3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3133270) has the molecular formula C30H27N3O4S and a molecular weight of 525.63 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID3133270
Molecular FormulaC30H27N3O4S
Molecular Weight525.63 g/mol
Exact Mass525.17
IUPAC Name3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccc(OC)cc4OC)sc3n2)cc1
InChIInChI=1S/C30H27N3O4S/c1-4-37-20-12-10-19(11-13-20)24-17-22(18-8-6-5-7-9-18)26-27(31)28(38-30(26)33-24)29(34)32-23-15-14-21(35-2)16-25(23)36-3/h5-17H,4,31H2,1-3H3,(H,32,34)
InChIKeyAGAGGDFAMSOSND-UHFFFAOYSA-N
XLogP6.88
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
3-amino-4-(2,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23743001
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23801341
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23886209
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281
3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23743028
3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165582
3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3165794

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 3133270) is 3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is CCOc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccc(OC)cc4OC)sc3n2)cc1.
What is the InChIKey of 3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AGAGGDFAMSOSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4S/c1-4-37-20-12-10-19(11-13-20)24-17-22(18-8-6-5-7-9-18)26-27(31)28(38-30(26)33-24)29(34)32-23-15-14-21(35-2)16-25(23)36-3/h5-17H,4,31H2,1-3H3,(H,32,34).
What are the key properties of 3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 525.63 g/mol, XLogP of 6.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3133270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).