3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide

C17H18N4OS — CID 867425

IUPAC3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)c1ccnc2sc(C(=O)NCc3ccccc3)c(N)c12
InChIInChI=1S/C17H18N4OS/c1-21(2)12-8-9-19-17-13(12)14(18)15(23-17)16(22)20-10-11-6-4-3-5-7-11/h3-9H,10,18H2,1-2H3,(H,20,22)
InChIKeyNTPXQERXVNATPJ-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.87
Rot. Bonds4

About 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 867425) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID867425
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)c1ccnc2sc(C(=O)NCc3ccccc3)c(N)c12
InChIInChI=1S/C17H18N4OS/c1-21(2)12-8-9-19-17-13(12)14(18)15(23-17)16(22)20-10-11-6-4-3-5-7-11/h3-9H,10,18H2,1-2H3,(H,20,22)
InChIKeyNTPXQERXVNATPJ-UHFFFAOYSA-N
XLogP2.87
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide (CID 867425) is 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide is CN(C)c1ccnc2sc(C(=O)NCc3ccccc3)c(N)c12.
What is the InChIKey of 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NTPXQERXVNATPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-21(2)12-8-9-19-17-13(12)14(18)15(23-17)16(22)20-10-11-6-4-3-5-7-11/h3-9H,10,18H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 867425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).