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

C30H26ClN3O3S — CID 3165900

IUPAC3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C(=O)Nc4ccc(C)c(Cl)c4)c(N)c23)cc1OC
InChIInChI=1S/C30H26ClN3O3S/c1-16-5-8-18(9-6-16)23-15-21(19-10-12-24(36-3)25(13-19)37-4)26-27(32)28(38-30(26)34-23)29(35)33-20-11-7-17(2)22(31)14-20/h5-15H,32H2,1-4H3,(H,33,35)
InChIKeyHWOOBOYQYVCWHA-UHFFFAOYSA-N
MW544.08 g/mol
LogP7.75
Rot. Bonds6

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

3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3165900) has the molecular formula C30H26ClN3O3S and a molecular weight of 544.08 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID3165900
Molecular FormulaC30H26ClN3O3S
Molecular Weight544.08 g/mol
Exact Mass543.14
IUPAC Name3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C(=O)Nc4ccc(C)c(Cl)c4)c(N)c23)cc1OC
InChIInChI=1S/C30H26ClN3O3S/c1-16-5-8-18(9-6-16)23-15-21(19-10-12-24(36-3)25(13-19)37-4)26-27(32)28(38-30(26)34-23)29(35)33-20-11-7-17(2)22(31)14-20/h5-15H,32H2,1-4H3,(H,33,35)
InChIKeyHWOOBOYQYVCWHA-UHFFFAOYSA-N
XLogP7.75
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.08
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3130352
3-amino-4-(3,4-dihydroxyphenyl)-6-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 177381506
3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132355
3-amino-N-(3-chloro-4-methoxyphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23861199
3-amino-N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 2067224
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-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3165794
3-amino-N-(2,3-dichlorophenyl)-6-(4-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133359
3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132344
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 3165900) is 3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C(=O)Nc4ccc(C)c(Cl)c4)c(N)c23)cc1OC.
What is the InChIKey of 3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HWOOBOYQYVCWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN3O3S/c1-16-5-8-18(9-6-16)23-15-21(19-10-12-24(36-3)25(13-19)37-4)26-27(32)28(38-30(26)34-23)29(35)33-20-11-7-17(2)22(31)14-20/h5-15H,32H2,1-4H3,(H,33,35).
What are the key properties of 3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-chloro-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 544.08 g/mol, XLogP of 7.75, 6 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-methylphenyl)-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3165900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).