3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide

C18H17N3O2S — CID 169006544

IUPAC3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide
SMILESCc1cc(C)c2c(N)c(C(=O)CC(=O)Nc3ccccc3)sc2n1
InChIInChI=1S/C18H17N3O2S/c1-10-8-11(2)20-18-15(10)16(19)17(24-18)13(22)9-14(23)21-12-6-4-3-5-7-12/h3-8H,9,19H2,1-2H3,(H,21,23)
InChIKeyLWMNSEUXYBIBOM-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.71
Rot. Bonds4

About 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide

3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide (PubChem CID 169006544) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide
PubChem CID169006544
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide
SMILESCc1cc(C)c2c(N)c(C(=O)CC(=O)Nc3ccccc3)sc2n1
InChIInChI=1S/C18H17N3O2S/c1-10-8-11(2)20-18-15(10)16(19)17(24-18)13(22)9-14(23)21-12-6-4-3-5-7-12/h3-8H,9,19H2,1-2H3,(H,21,23)
InChIKeyLWMNSEUXYBIBOM-UHFFFAOYSA-N
XLogP3.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
3-amino-6-methyl-4-N-phenylthieno[2,3-b]pyridine-2,4-dicarboxamide
CID 23401042
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377
3-amino-N-(3,4-dichlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144500
3-amino-4,6-dimethyl-N-(4-propan-2-yloxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1187975
2-oxopropyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 170908746
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 17436057
(3-carbamoylphenyl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 55640832
3-amino-N,N-diethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 743752

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide?
The IUPAC name of 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide (CID 169006544) is 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide.
What is the SMILES notation for 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide?
The canonical SMILES for 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide is Cc1cc(C)c2c(N)c(C(=O)CC(=O)Nc3ccccc3)sc2n1.
What is the InChIKey of 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide?
The InChIKey is LWMNSEUXYBIBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-10-8-11(2)20-18-15(10)16(19)17(24-18)13(22)9-14(23)21-12-6-4-3-5-7-12/h3-8H,9,19H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide?
3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide has a molecular weight of 339.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-3-oxo-N-phenylpropanamide is sourced from PubChem (CID 169006544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).