3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide

C27H18Cl3N3OS — CID 3134250

IUPAC3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C27H18Cl3N3OS/c1-14-2-7-19(30)12-21(14)32-26(34)25-24(31)23-20(15-3-8-17(28)9-4-15)13-22(33-27(23)35-25)16-5-10-18(29)11-6-16/h2-13H,31H2,1H3,(H,32,34)
InChIKeyFUAZTRHZMUNXHD-UHFFFAOYSA-N
MW538.89 g/mol
LogP8.73
Rot. Bonds4

About 3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3134250) has the molecular formula C27H18Cl3N3OS and a molecular weight of 538.89 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID3134250
Molecular FormulaC27H18Cl3N3OS
Molecular Weight538.89 g/mol
Exact Mass537.02
IUPAC Name3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2c1N
InChIInChI=1S/C27H18Cl3N3OS/c1-14-2-7-19(30)12-21(14)32-26(34)25-24(31)23-20(15-3-8-17(28)9-4-15)13-22(33-27(23)35-25)16-5-10-18(29)11-6-16/h2-13H,31H2,1H3,(H,32,34)
InChIKeyFUAZTRHZMUNXHD-UHFFFAOYSA-N
XLogP8.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.89
LogP ≤ 58.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132344
3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132355
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-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
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-methylthieno[2,3-b]pyridine-2-carbohydrazide
CID 10640367
ethyl 2-[[3-amino-4-(4-chlorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 3165825
3-amino-N-(2-ethylphenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165582
3-amino-4-(4-chlorophenyl)-6-phenyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 3131970

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 3134250) is 3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2c1N.
What is the InChIKey of 3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FUAZTRHZMUNXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl3N3OS/c1-14-2-7-19(30)12-21(14)32-26(34)25-24(31)23-20(15-3-8-17(28)9-4-15)13-22(33-27(23)35-25)16-5-10-18(29)11-6-16/h2-13H,31H2,1H3,(H,32,34).
What are the key properties of 3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 538.89 g/mol, XLogP of 8.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3134250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).