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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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).