5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one

C14H21N3OS — CID 112557134

IUPAC5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one
SMILESCN(C)CCCNCCn1ccc2sccc2c1=O
InChIInChI=1S/C14H21N3OS/c1-16(2)8-3-6-15-7-10-17-9-4-13-12(14(17)18)5-11-19-13/h4-5,9,11,15H,3,6-8,10H2,1-2H3
InChIKeyWYHQOKSMTWDEAR-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.60
Rot. Bonds7

About 5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one

5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 112557134) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one
PubChem CID112557134
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one
SMILESCN(C)CCCNCCn1ccc2sccc2c1=O
InChIInChI=1S/C14H21N3OS/c1-16(2)8-3-6-15-7-10-17-9-4-13-12(14(17)18)5-11-19-13/h4-5,9,11,15H,3,6-8,10H2,1-2H3
InChIKeyWYHQOKSMTWDEAR-UHFFFAOYSA-N
XLogP1.60
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 112557132
5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 112557143
5-[2-(2-butoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912105
5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
CID 112557081
5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one
CID 105344666
5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912100
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-[2-(1-thiophen-2-ylethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912125
1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
CID 62564162
4-(4-oxothieno[3,2-c]pyridin-5-yl)butanoic acid
CID 112556973
5-but-2-ynylthieno[3,2-c]pyridin-4-one
CID 115886548
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one (CID 112557134) is 5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one is CN(C)CCCNCCn1ccc2sccc2c1=O.
What is the InChIKey of 5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is WYHQOKSMTWDEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-16(2)8-3-6-15-7-10-17-9-4-13-12(14(17)18)5-11-19-13/h4-5,9,11,15H,3,6-8,10H2,1-2H3.
What are the key properties of 5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one?
5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 279.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 112557134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).