6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C25H28N2O3S — CID 161235906

IUPAC6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(CC(=O)Cc2ccc3ccccc3c2)sc2c1CCN(CCCCO)C2
InChIInChI=1S/C25H28N2O3S/c26-25(30)24-21-9-11-27(10-3-4-12-28)16-23(21)31-22(24)15-20(29)14-17-7-8-18-5-1-2-6-19(18)13-17/h1-2,5-8,13,28H,3-4,9-12,14-16H2,(H2,26,30)
InChIKeyUZJDNOCJBKZTFQ-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.49
Rot. Bonds9

About 6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 161235906) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID161235906
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(CC(=O)Cc2ccc3ccccc3c2)sc2c1CCN(CCCCO)C2
InChIInChI=1S/C25H28N2O3S/c26-25(30)24-21-9-11-27(10-3-4-12-28)16-23(21)31-22(24)15-20(29)14-17-7-8-18-5-1-2-6-19(18)13-17/h1-2,5-8,13,28H,3-4,9-12,14-16H2,(H2,26,30)
InChIKeyUZJDNOCJBKZTFQ-UHFFFAOYSA-N
XLogP3.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 161135643
carbon dioxide;6-ethyl-2-[3-(4-methylphenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 158052139
6-ethyl-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798261
6-(2-hydroxyethyl)-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 129172309
2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4136200
1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one
CID 158386920
2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798225
6-benzyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 16798286
6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
CID 53313256
6-benzyl-2-(2,2-dimethylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5103350
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
CID 65354678

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 161235906) is 6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is NC(=O)c1c(CC(=O)Cc2ccc3ccccc3c2)sc2c1CCN(CCCCO)C2.
What is the InChIKey of 6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is UZJDNOCJBKZTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c26-25(30)24-21-9-11-27(10-3-4-12-28)16-23(21)31-22(24)15-20(29)14-17-7-8-18-5-1-2-6-19(18)13-17/h1-2,5-8,13,28H,3-4,9-12,14-16H2,(H2,26,30).
What are the key properties of 6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 161235906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).