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

C26H17Cl2N3OS — CID 3125157

IUPAC3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C26H17Cl2N3OS/c27-17-11-9-16(10-12-17)21-14-20(15-5-2-1-3-6-15)22-23(29)24(33-26(22)31-21)25(32)30-19-8-4-7-18(28)13-19/h1-14H,29H2,(H,30,32)
InChIKeyWCFPGGGBUGJLQC-UHFFFAOYSA-N
MW490.42 g/mol
LogP7.77
Rot. Bonds4

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

3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3125157) has the molecular formula C26H17Cl2N3OS and a molecular weight of 490.42 g/mol. Its IUPAC name is 3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID3125157
Molecular FormulaC26H17Cl2N3OS
Molecular Weight490.42 g/mol
Exact Mass489.05
IUPAC Name3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C26H17Cl2N3OS/c27-17-11-9-16(10-12-17)21-14-20(15-5-2-1-3-6-15)22-23(29)24(33-26(22)31-21)25(32)30-19-8-4-7-18(28)13-19/h1-14H,29H2,(H,30,32)
InChIKeyWCFPGGGBUGJLQC-UHFFFAOYSA-N
XLogP7.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.42
LogP ≤ 57.77
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-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-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132355
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-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-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133359
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3133451
3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1178305
3-amino-4-(4-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129592
ethyl 2-[[3-amino-4-(4-chlorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 3165825

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 3125157) is 3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c12.
What is the InChIKey of 3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WCFPGGGBUGJLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2N3OS/c27-17-11-9-16(10-12-17)21-14-20(15-5-2-1-3-6-15)22-23(29)24(33-26(22)31-21)25(32)30-19-8-4-7-18(28)13-19/h1-14H,29H2,(H,30,32).
What are the key properties of 3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 490.42 g/mol, XLogP of 7.77, 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)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3125157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).