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

C22H18ClN3O3S — CID 23861199

IUPAC3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC)c(Cl)c4)sc3n2)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-28-14-6-3-12(4-7-14)17-9-8-15-19(24)20(30-22(15)26-17)21(27)25-13-5-10-18(29-2)16(23)11-13/h3-11H,24H2,1-2H3,(H,25,27)
InChIKeyATTAINUPLXHWSP-UHFFFAOYSA-N
MW439.92 g/mol
LogP5.47
Rot. Bonds5

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

3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23861199) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23861199
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC)c(Cl)c4)sc3n2)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-28-14-6-3-12(4-7-14)17-9-8-15-19(24)20(30-22(15)26-17)21(27)25-13-5-10-18(29-2)16(23)11-13/h3-11H,24H2,1-2H3,(H,25,27)
InChIKeyATTAINUPLXHWSP-UHFFFAOYSA-N
XLogP5.47
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23774841
3-amino-6-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004083
3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 118940972
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
3-amino-6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2011209
3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002396
3-amino-N-(4-bromo-2-methylphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004038
2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 21233658
3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3165900
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[[3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-methoxybenzoate
CID 87047649
3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1239621
3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23861199) is 3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC)c(Cl)c4)sc3n2)cc1.
What is the InChIKey of 3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ATTAINUPLXHWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c1-28-14-6-3-12(4-7-14)17-9-8-15-19(24)20(30-22(15)26-17)21(27)25-13-5-10-18(29-2)16(23)11-13/h3-11H,24H2,1-2H3,(H,25,27).
What are the key properties of 3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 439.92 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23861199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).