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

C26H15Cl4N3OS — CID 3132355

IUPAC3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C26H15Cl4N3OS/c27-15-5-1-13(2-6-15)18-12-21(14-3-7-16(28)8-4-14)33-26-22(18)23(31)24(35-26)25(34)32-17-9-10-19(29)20(30)11-17/h1-12H,31H2,(H,32,34)
InChIKeyAZCOOASDSDKQLR-UHFFFAOYSA-N
MW559.31 g/mol
LogP9.08
Rot. Bonds4

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

3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3132355) has the molecular formula C26H15Cl4N3OS and a molecular weight of 559.31 g/mol. Its IUPAC name is 3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID3132355
Molecular FormulaC26H15Cl4N3OS
Molecular Weight559.31 g/mol
Exact Mass556.97
IUPAC Name3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C26H15Cl4N3OS/c27-15-5-1-13(2-6-15)18-12-21(14-3-7-16(28)8-4-14)33-26-22(18)23(31)24(35-26)25(34)32-17-9-10-19(29)20(30)11-17/h1-12H,31H2,(H,32,34)
InChIKeyAZCOOASDSDKQLR-UHFFFAOYSA-N
XLogP9.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.31
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132344
3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3133451
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 3131970
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3165900
3-amino-N-(3,4-dichlorophenyl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 5299650
3-amino-N-(3,4-dichlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144500
3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133359
3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 14510431

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 3132355) is 3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AZCOOASDSDKQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15Cl4N3OS/c27-15-5-1-13(2-6-15)18-12-21(14-3-7-16(28)8-4-14)33-26-22(18)23(31)24(35-26)25(34)32-17-9-10-19(29)20(30)11-17/h1-12H,31H2,(H,32,34).
What are the key properties of 3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 559.31 g/mol, XLogP of 9.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3132355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).