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

C26H16Cl3N3OS — CID 3132344

IUPAC3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C26H16Cl3N3OS/c27-16-8-4-14(5-9-16)20-13-21(15-6-10-17(28)11-7-15)32-26-22(20)23(30)24(34-26)25(33)31-19-3-1-2-18(29)12-19/h1-13H,30H2,(H,31,33)
InChIKeyJGBRQLUCRDBWNI-UHFFFAOYSA-N
MW524.86 g/mol
LogP8.43
Rot. Bonds4

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

3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3132344) has the molecular formula C26H16Cl3N3OS and a molecular weight of 524.86 g/mol. Its IUPAC name is 3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID3132344
Molecular FormulaC26H16Cl3N3OS
Molecular Weight524.86 g/mol
Exact Mass523.01
IUPAC Name3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C26H16Cl3N3OS/c27-16-8-4-14(5-9-16)20-13-21(15-6-10-17(28)11-7-15)32-26-22(20)23(30)24(34-26)25(33)31-19-3-1-2-18(29)12-19/h1-13H,30H2,(H,31,33)
InChIKeyJGBRQLUCRDBWNI-UHFFFAOYSA-N
XLogP8.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.86
LogP ≤ 58.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132355
3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 3131970
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-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
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-(3-nitrophenyl)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3120416
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
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-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 14510431
3-amino-6-(4-methoxyphenyl)-N-phenyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 4086089

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 3132344) is 3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JGBRQLUCRDBWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl3N3OS/c27-16-8-4-14(5-9-16)20-13-21(15-6-10-17(28)11-7-15)32-26-22(20)23(30)24(34-26)25(33)31-19-3-1-2-18(29)12-19/h1-13H,30H2,(H,31,33).
What are the key properties of 3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 524.86 g/mol, XLogP of 8.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3132344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).