3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide

C16H14ClN3O3S — CID 25005242

IUPAC3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(Oc3ccc(CCO)cc3Cl)c2c1N
InChIInChI=1S/C16H14ClN3O3S/c17-9-7-8(4-6-21)1-2-10(9)23-11-3-5-20-16-12(11)13(18)14(24-16)15(19)22/h1-3,5,7,21H,4,6,18H2,(H2,19,22)
InChIKeyNPMABGSTFVRINH-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.96
Rot. Bonds5

About 3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 25005242) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID25005242
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(Oc3ccc(CCO)cc3Cl)c2c1N
InChIInChI=1S/C16H14ClN3O3S/c17-9-7-8(4-6-21)1-2-10(9)23-11-3-5-20-16-12(11)13(18)14(24-16)15(19)22/h1-3,5,7,21H,4,6,18H2,(H2,19,22)
InChIKeyNPMABGSTFVRINH-UHFFFAOYSA-N
XLogP2.96
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 25004564
3-amino-4-[2-chloro-4-[4-(dimethylamino)-4-oxobutyl]phenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155520791
3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide
CID 155522878
3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 10267528
3-amino-4-[4-[2-(dimethylamino)-2-oxoethyl]-2-fluorophenoxy]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 25006332
2-(4-amino-3-chlorophenyl)ethanol
CID 54268347
3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride
CID 69364402
4-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxamide
CID 107709658
4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]ethyl]-2-chlorophenoxy]aniline
CID 57316904
3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708937
3-[3-amino-4-(2,4-dichlorophenoxy)phenyl]propanoic acid
CID 70276085
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide (CID 25005242) is 3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nccc(Oc3ccc(CCO)cc3Cl)c2c1N.
What is the InChIKey of 3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NPMABGSTFVRINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-9-7-8(4-6-21)1-2-10(9)23-11-3-5-20-16-12(11)13(18)14(24-16)15(19)22/h1-3,5,7,21H,4,6,18H2,(H2,19,22).
What are the key properties of 3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 363.83 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-chloro-4-(2-hydroxyethyl)phenoxy]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 25005242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).