3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide

C28H23N3O5S — CID 2101794

IUPAC3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide
SMILESCOc1ccc(C(=O)c2sc3nc(C)c(C(=O)Nc4ccccc4OC)c(-c4ccco4)c3c2N)cc1
InChIInChI=1S/C28H23N3O5S/c1-15-21(27(33)31-18-7-4-5-8-19(18)35-3)22(20-9-6-14-36-20)23-24(29)26(37-28(23)30-15)25(32)16-10-12-17(34-2)13-11-16/h4-14H,29H2,1-3H3,(H,31,33)
InChIKeyAVTTUFIOYMCZSN-UHFFFAOYSA-N
MW513.58 g/mol
LogP5.95
Rot. Bonds7

About 3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide

3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide (PubChem CID 2101794) has the molecular formula C28H23N3O5S and a molecular weight of 513.58 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide
PubChem CID2101794
Molecular FormulaC28H23N3O5S
Molecular Weight513.58 g/mol
Exact Mass513.14
IUPAC Name3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide
SMILESCOc1ccc(C(=O)c2sc3nc(C)c(C(=O)Nc4ccccc4OC)c(-c4ccco4)c3c2N)cc1
InChIInChI=1S/C28H23N3O5S/c1-15-21(27(33)31-18-7-4-5-8-19(18)35-3)22(20-9-6-14-36-20)23-24(29)26(37-28(23)30-15)25(32)16-10-12-17(34-2)13-11-16/h4-14H,29H2,1-3H3,(H,31,33)
InChIKeyAVTTUFIOYMCZSN-UHFFFAOYSA-N
XLogP5.95
TPSA116.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.58
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-4-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-2-(3-nitrobenzoyl)thieno[2,3-b]pyridine-5-carboxamide
CID 23769743
methyl 3-amino-2-(4-methoxybenzoyl)-6-methyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carboxylate
CID 90469290
1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone
CID 14268896
4-[5-acetyl-3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carbonyl]-3-(4-methoxyphenyl)-2H-oxadiazol-3-ium-5-one
CID 53297320
4-[5-acetyl-3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carbonyl]-3-methyl-2H-oxadiazol-3-ium-5-one
CID 53296658
3-amino-2-(4-chlorobenzoyl)-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide
CID 1007127
2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18230491
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
6-amino-N-(2-ethylphenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 1314962
3,6-diamino-4-(furan-2-yl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 23887456
3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3165794
methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 118716252

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide (CID 2101794) is 3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide is COc1ccc(C(=O)c2sc3nc(C)c(C(=O)Nc4ccccc4OC)c(-c4ccco4)c3c2N)cc1.
What is the InChIKey of 3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is AVTTUFIOYMCZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O5S/c1-15-21(27(33)31-18-7-4-5-8-19(18)35-3)22(20-9-6-14-36-20)23-24(29)26(37-28(23)30-15)25(32)16-10-12-17(34-2)13-11-16/h4-14H,29H2,1-3H3,(H,31,33).
What are the key properties of 3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide?
3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 513.58 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 2101794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).