5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one

C13H17N3OS — CID 66386976

IUPAC5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2sccc2N)ccc1=O
InChIInChI=1S/C13H17N3OS/c1-2-6-16-9-10(3-4-13(16)17)15-8-12-11(14)5-7-18-12/h3-5,7,9,15H,2,6,8,14H2,1H3
InChIKeyRVTGAXPOIIYMGY-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.51
Rot. Bonds5

About 5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one

5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one (PubChem CID 66386976) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
PubChem CID66386976
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2sccc2N)ccc1=O
InChIInChI=1S/C13H17N3OS/c1-2-6-16-9-10(3-4-13(16)17)15-8-12-11(14)5-7-18-12/h3-5,7,9,15H,2,6,8,14H2,1H3
InChIKeyRVTGAXPOIIYMGY-UHFFFAOYSA-N
XLogP2.51
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one (CID 66386976) is 5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one is CCCn1cc(NCc2sccc2N)ccc1=O.
What is the InChIKey of 5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one?
The InChIKey is RVTGAXPOIIYMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-6-16-9-10(3-4-13(16)17)15-8-12-11(14)5-7-18-12/h3-5,7,9,15H,2,6,8,14H2,1H3.
What are the key properties of 5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one?
5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one has a molecular weight of 263.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 66386976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).