4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide

C23H21N5O4S — CID 58832880

IUPAC4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESNc1ncc(C(=O)NCCO)c2scc(COc3cccc(NC(=O)c4ccccn4)c3)c12
InChIInChI=1S/C23H21N5O4S/c24-21-19-14(13-33-20(19)17(11-27-21)22(30)26-8-9-29)12-32-16-5-3-4-15(10-16)28-23(31)18-6-1-2-7-25-18/h1-7,10-11,13,29H,8-9,12H2,(H2,24,27)(H,26,30)(H,28,31)
InChIKeyHZMJUGPZASEICW-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.83
Rot. Bonds8

About 4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 58832880) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID58832880
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC Name4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESNc1ncc(C(=O)NCCO)c2scc(COc3cccc(NC(=O)c4ccccn4)c3)c12
InChIInChI=1S/C23H21N5O4S/c24-21-19-14(13-33-20(19)17(11-27-21)22(30)26-8-9-29)12-32-16-5-3-4-15(10-16)28-23(31)18-6-1-2-7-25-18/h1-7,10-11,13,29H,8-9,12H2,(H2,24,27)(H,26,30)(H,28,31)
InChIKeyHZMJUGPZASEICW-UHFFFAOYSA-N
XLogP2.83
TPSA139.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide with MolForge

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Related Compounds

4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane
CID 161008574
4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
CID 141166245
4-amino-3-[[3-[(3,5-difluorophenyl)methoxy]-5-methylphenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide
CID 58832989
[4-amino-3-[[3-[(2,3-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
CID 126662805
[4-amino-3-[[3-[(4-chlorophenyl)sulfonylamino]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
CID 126662747
[4-amino-3-[[3-(cyclopropylcarbamoyl)phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
CID 126662733
[4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate
CID 126662764
4-amino-3-[(4-bromophenoxy)methyl]-N-[2-(2-pyrrolidin-1-ylethoxy)ethyl]thieno[3,2-c]pyridine-7-carboxamide
CID 11591687
ethyl 4-amino-3-[(3-benzylsulfanylphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate;methane
CID 160746367
2-[4-amino-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl]ethanol
CID 126696413
ethyl 4-chloro-3-[[3-[(2,4-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 58832967
N-(2-hydroxyethyl)pyridine-2-carboxamide;nitric acid
CID 157371793

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide (CID 58832880) is 4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide is Nc1ncc(C(=O)NCCO)c2scc(COc3cccc(NC(=O)c4ccccn4)c3)c12.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is HZMJUGPZASEICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c24-21-19-14(13-33-20(19)17(11-27-21)22(30)26-8-9-29)12-32-16-5-3-4-15(10-16)28-23(31)18-6-1-2-7-25-18/h1-7,10-11,13,29H,8-9,12H2,(H2,24,27)(H,26,30)(H,28,31).
What are the key properties of 4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 2.83, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 58832880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).