7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide

C17H16N2O3S — CID 54734355

IUPAC7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCCCc1ccccc1)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C17H16N2O3S/c20-14-13(17(22)19-12-8-10-23-15(12)14)16(21)18-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H,18,21)(H2,19,20,22)
InChIKeyZNPKIFBFQYBDQU-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.66
Rot. Bonds5

About 7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide

7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734355) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734355
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCCCc1ccccc1)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C17H16N2O3S/c20-14-13(17(22)19-12-8-10-23-15(12)14)16(21)18-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H,18,21)(H2,19,20,22)
InChIKeyZNPKIFBFQYBDQU-UHFFFAOYSA-N
XLogP2.66
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
CID 24939140
7-hydroxy-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733602
3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46096812
2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
CID 53349705
2-benzyl-N-[3-(4-hydroxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 86973043
7-hydroxy-5-oxo-N-[4-(trifluoromethoxy)phenyl]-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54734381
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122
1-methyl-5-oxo-N-(3-phenylpropyl)-4H-1,2,4-triazole-3-carboxamide
CID 136849803
8-phenyloctylcarbamic acid
CID 90271205
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
3-(3-aminoprop-1-ynyl)-N-(3-phenylpropyl)thiophene-2-carboxamide
CID 63800040
N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54677806

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 54734355) is 7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide is O=C(NCCCc1ccccc1)c1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of 7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is ZNPKIFBFQYBDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-14-13(17(22)19-12-8-10-23-15(12)14)16(21)18-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H,18,21)(H2,19,20,22).
What are the key properties of 7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide?
7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).