N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide

C17H17N3OS — CID 86780974

IUPACN-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cnc3ccsc3c2)c1C
InChIInChI=1S/C17H17N3OS/c1-11-14(4-3-5-15(11)20-12(2)21)18-9-13-8-17-16(19-10-13)6-7-22-17/h3-8,10,18H,9H2,1-2H3,(H,20,21)
InChIKeyHCXGVESSYMVNET-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.18
Rot. Bonds4

About N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide

N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide (PubChem CID 86780974) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide
PubChem CID86780974
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cnc3ccsc3c2)c1C
InChIInChI=1S/C17H17N3OS/c1-11-14(4-3-5-15(11)20-12(2)21)18-9-13-8-17-16(19-10-13)6-7-22-17/h3-8,10,18H,9H2,1-2H3,(H,20,21)
InChIKeyHCXGVESSYMVNET-UHFFFAOYSA-N
XLogP4.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide (CID 86780974) is N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide is CC(=O)Nc1cccc(NCc2cnc3ccsc3c2)c1C.
What is the InChIKey of N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide?
The InChIKey is HCXGVESSYMVNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-11-14(4-3-5-15(11)20-12(2)21)18-9-13-8-17-16(19-10-13)6-7-22-17/h3-8,10,18H,9H2,1-2H3,(H,20,21).
What are the key properties of N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide?
N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 86780974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).