4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide

C17H16N2O2S — CID 20594232

IUPAC4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCCC(O)(c1ccccc1)c1cncc2sc(C(N)=O)cc12
InChIInChI=1S/C17H16N2O2S/c1-2-17(21,11-6-4-3-5-7-11)13-9-19-10-15-12(13)8-14(22-15)16(18)20/h3-10,21H,2H2,1H3,(H2,18,20)
InChIKeyLSSWTMAUGUESOT-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.04
Rot. Bonds4

About 4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide

4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 20594232) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID20594232
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCCC(O)(c1ccccc1)c1cncc2sc(C(N)=O)cc12
InChIInChI=1S/C17H16N2O2S/c1-2-17(21,11-6-4-3-5-7-11)13-9-19-10-15-12(13)8-14(22-15)16(18)20/h3-10,21H,2H2,1H3,(H2,18,20)
InChIKeyLSSWTMAUGUESOT-UHFFFAOYSA-N
XLogP3.04
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenylthieno[2,3-c]pyridine-2-carboxamide;propane
CID 91467405
4-[4-[4-(methoxymethyl)phenyl]anilino]thieno[2,3-c]pyridine-2-carboxamide
CID 76852973
1-isoquinolin-4-yl-2-methoxy-1-phenylethanol
CID 103465697
1-[4-(3-phenylphenyl)thieno[2,3-c]pyridin-2-yl]ethanone
CID 134168340
1-(4-aminothieno[2,3-c]pyridin-2-yl)ethanone
CID 82402692
methanol;4-methylthieno[2,3-c]pyridine-2-carboxylic acid
CID 90848092
2-(1-hydroxy-1-phenylpropyl)-5-methylbenzene-1,4-diol
CID 10491430
4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol
CID 13076854
4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide
CID 123624865
4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
CID 11121450
1-(2,4-difluorophenyl)-1-phenylpropan-1-ol
CID 62800875
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide (CID 20594232) is 4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide is CCC(O)(c1ccccc1)c1cncc2sc(C(N)=O)cc12.
What is the InChIKey of 4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is LSSWTMAUGUESOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-17(21,11-6-4-3-5-7-11)13-9-19-10-15-12(13)8-14(22-15)16(18)20/h3-10,21H,2H2,1H3,(H2,18,20).
What are the key properties of 4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 20594232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).