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

C20H13Cl2N3OS — CID 23913772

IUPAC3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2Cl)sc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C20H13Cl2N3OS/c21-12-7-5-11(6-8-12)15-10-9-13-17(23)18(27-20(13)25-15)19(26)24-16-4-2-1-3-14(16)22/h1-10H,23H2,(H,24,26)
InChIKeyCHOMBWFMFTUQFG-UHFFFAOYSA-N
MW414.32 g/mol
LogP6.10
Rot. Bonds3

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

3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23913772) has the molecular formula C20H13Cl2N3OS and a molecular weight of 414.32 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23913772
Molecular FormulaC20H13Cl2N3OS
Molecular Weight414.32 g/mol
Exact Mass413.02
IUPAC Name3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2Cl)sc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C20H13Cl2N3OS/c21-12-7-5-11(6-8-12)15-10-9-13-17(23)18(27-20(13)25-15)19(26)24-16-4-2-1-3-14(16)22/h1-10H,23H2,(H,24,26)
InChIKeyCHOMBWFMFTUQFG-UHFFFAOYSA-N
XLogP6.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.32
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772153
3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23914363
3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772120
3-amino-N-(2,5-dichlorophenyl)-6-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 90205475
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
3-amino-6-(1,3-benzodioxol-5-yl)-N-(2,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4903539
3-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 44616017
2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 21233658
3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23744153
3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002396
[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23943421

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23913772) is 3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccccc2Cl)sc2nc(-c3ccc(Cl)cc3)ccc12.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CHOMBWFMFTUQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3OS/c21-12-7-5-11(6-8-12)15-10-9-13-17(23)18(27-20(13)25-15)19(26)24-16-4-2-1-3-14(16)22/h1-10H,23H2,(H,24,26).
What are the key properties of 3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 414.32 g/mol, XLogP of 6.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23913772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).