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

C13H15BrN2OS — CID 54863781

IUPAC5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2csc(Br)c2)ccc1=O
InChIInChI=1S/C13H15BrN2OS/c1-2-5-16-8-11(3-4-13(16)17)15-7-10-6-12(14)18-9-10/h3-4,6,8-9,15H,2,5,7H2,1H3
InChIKeyLDPYKKOTIXALSQ-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.69
Rot. Bonds5

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

5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one (PubChem CID 54863781) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one
PubChem CID54863781
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2csc(Br)c2)ccc1=O
InChIInChI=1S/C13H15BrN2OS/c1-2-5-16-8-11(3-4-13(16)17)15-7-10-6-12(14)18-9-10/h3-4,6,8-9,15H,2,5,7H2,1H3
InChIKeyLDPYKKOTIXALSQ-UHFFFAOYSA-N
XLogP3.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
CID 66386976
5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one
CID 107737829
1,3-dimethyl-6-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]pyrimidine-2,4-dione
CID 146144159
5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 54863932
1-propyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63951085
1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
5-[(2-chlorophenyl)methylamino]-1-propylpyridin-2-one
CID 54863887
5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 63324996
1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555520
2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82887384
5-[(4-bromothiophen-2-yl)methylamino]-1-(2-methoxyethyl)pyridin-2-one
CID 43733538
5-(benzylamino)-1-(2-methoxyethyl)pyridin-2-one
CID 43733472

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one (CID 54863781) is 5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one is CCCn1cc(NCc2csc(Br)c2)ccc1=O.
What is the InChIKey of 5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one?
The InChIKey is LDPYKKOTIXALSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-2-5-16-8-11(3-4-13(16)17)15-7-10-6-12(14)18-9-10/h3-4,6,8-9,15H,2,5,7H2,1H3.
What are the key properties of 5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one?
5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one has a molecular weight of 327.25 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 54863781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).