3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide

C18H17N3O2S — CID 699688

IUPAC3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(N)=O)c(N)c2c(C)c1CC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-9-12(8-13(22)11-6-4-3-5-7-11)10(2)21-18-14(9)15(19)16(24-18)17(20)23/h3-7H,8,19H2,1-2H3,(H2,20,23)
InChIKeyHMLNXHABJLZURU-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.02
Rot. Bonds4

About 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 699688) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID699688
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(N)=O)c(N)c2c(C)c1CC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-9-12(8-13(22)11-6-4-3-5-7-11)10(2)21-18-14(9)15(19)16(24-18)17(20)23/h3-7H,8,19H2,1-2H3,(H2,20,23)
InChIKeyHMLNXHABJLZURU-UHFFFAOYSA-N
XLogP3.02
TPSA99.07 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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide (CID 699688) is 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(N)=O)c(N)c2c(C)c1CC(=O)c1ccccc1.
What is the InChIKey of 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HMLNXHABJLZURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-9-12(8-13(22)11-6-4-3-5-7-11)10(2)21-18-14(9)15(19)16(24-18)17(20)23/h3-7H,8,19H2,1-2H3,(H2,20,23).
What are the key properties of 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 699688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).