3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C24H23N3O4S — CID 162421381

IUPAC3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(C(O)c2cc3c(N)c(C(=O)Nc4cccc(OC)c4)sc3nc2C)cc1
InChIInChI=1S/C24H23N3O4S/c1-13-18(21(28)14-7-9-16(30-2)10-8-14)12-19-20(25)22(32-24(19)26-13)23(29)27-15-5-4-6-17(11-15)31-3/h4-12,21,28H,25H2,1-3H3,(H,27,29)
InChIKeyDMGLEQMNEGIRSM-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.54
Rot. Bonds6

About 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 162421381) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID162421381
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(C(O)c2cc3c(N)c(C(=O)Nc4cccc(OC)c4)sc3nc2C)cc1
InChIInChI=1S/C24H23N3O4S/c1-13-18(21(28)14-7-9-16(30-2)10-8-14)12-19-20(25)22(32-24(19)26-13)23(29)27-15-5-4-6-17(11-15)31-3/h4-12,21,28H,25H2,1-3H3,(H,27,29)
InChIKeyDMGLEQMNEGIRSM-UHFFFAOYSA-N
XLogP4.54
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162421447
3-amino-N-(4-bromophenyl)-5-[hydroxy-(4-methoxyphenyl)methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162421469
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590
5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 35177368
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 155808799
3-amino-N-(4-methoxyphenyl)-5-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155201860
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
CID 171133227
3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23916849
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
3,6-diamino-5-cyano-N-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 6618684
3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1239621

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 162421381) is 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(C(O)c2cc3c(N)c(C(=O)Nc4cccc(OC)c4)sc3nc2C)cc1.
What is the InChIKey of 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DMGLEQMNEGIRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-13-18(21(28)14-7-9-16(30-2)10-8-14)12-19-20(25)22(32-24(19)26-13)23(29)27-15-5-4-6-17(11-15)31-3/h4-12,21,28H,25H2,1-3H3,(H,27,29).
What are the key properties of 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 162421381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).