3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide

C18H19N3OS — CID 2793404

IUPAC3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NC(C)c3ccccc3)sc2n1
InChIInChI=1S/C18H19N3OS/c1-10-9-11(2)20-18-14(10)15(19)16(23-18)17(22)21-12(3)13-7-5-4-6-8-13/h4-9,12H,19H2,1-3H3,(H,21,22)
InChIKeyMCAYWJFTDPUQKE-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.99
Rot. Bonds3

About 3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 2793404) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID2793404
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NC(C)c3ccccc3)sc2n1
InChIInChI=1S/C18H19N3OS/c1-10-9-11(2)20-18-14(10)15(19)16(23-18)17(22)21-12(3)13-7-5-4-6-8-13/h4-9,12H,19H2,1-3H3,(H,21,22)
InChIKeyMCAYWJFTDPUQKE-UHFFFAOYSA-N
XLogP3.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 2793404) is 3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NC(C)c3ccccc3)sc2n1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MCAYWJFTDPUQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-10-9-11(2)20-18-14(10)15(19)16(23-18)17(22)21-12(3)13-7-5-4-6-8-13/h4-9,12H,19H2,1-3H3,(H,21,22).
What are the key properties of 3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 2793404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).