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

C27H17Cl4N3OS — CID 3133451

IUPAC3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)Nc4c(Cl)cc(Cl)cc4Cl)sc3n2)cc1
InChIInChI=1S/C27H17Cl4N3OS/c1-13-2-4-15(5-3-13)21-12-18(14-6-8-16(28)9-7-14)22-23(32)25(36-27(22)33-21)26(35)34-24-19(30)10-17(29)11-20(24)31/h2-12H,32H2,1H3,(H,34,35)
InChIKeyOJYRPDXTHSDMMF-UHFFFAOYSA-N
MW573.33 g/mol
LogP9.39
Rot. Bonds4

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

3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3133451) has the molecular formula C27H17Cl4N3OS and a molecular weight of 573.33 g/mol. Its IUPAC name is 3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID3133451
Molecular FormulaC27H17Cl4N3OS
Molecular Weight573.33 g/mol
Exact Mass570.98
IUPAC Name3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)Nc4c(Cl)cc(Cl)cc4Cl)sc3n2)cc1
InChIInChI=1S/C27H17Cl4N3OS/c1-13-2-4-15(5-3-13)21-12-18(14-6-8-16(28)9-7-14)22-23(32)25(36-27(22)33-21)26(35)34-24-19(30)10-17(29)11-20(24)31/h2-12H,32H2,1H3,(H,34,35)
InChIKeyOJYRPDXTHSDMMF-UHFFFAOYSA-N
XLogP9.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.33
LogP ≤ 59.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132355
3-amino-6-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 5016303
3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133359
3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132344
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
[3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 23773333
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carbohydrazide
CID 10640367
3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165582
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 3133451) is 3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)Nc4c(Cl)cc(Cl)cc4Cl)sc3n2)cc1.
What is the InChIKey of 3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OJYRPDXTHSDMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl4N3OS/c1-13-2-4-15(5-3-13)21-12-18(14-6-8-16(28)9-7-14)22-23(32)25(36-27(22)33-21)26(35)34-24-19(30)10-17(29)11-20(24)31/h2-12H,32H2,1H3,(H,34,35).
What are the key properties of 3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 573.33 g/mol, XLogP of 9.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3133451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).