5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one

C11H10Br2N2OS — CID 102834614

IUPAC5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2cc(Br)c(Br)s2)ccc1=O
InChIInChI=1S/C11H10Br2N2OS/c1-15-6-7(2-3-10(15)16)14-5-8-4-9(12)11(13)17-8/h2-4,6,14H,5H2,1H3
InChIKeySKAVARLAUSITDD-UHFFFAOYSA-N
MW378.09 g/mol
LogP3.58
Rot. Bonds3

About 5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one

5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one (PubChem CID 102834614) has the molecular formula C11H10Br2N2OS and a molecular weight of 378.09 g/mol. Its IUPAC name is 5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
PubChem CID102834614
Molecular FormulaC11H10Br2N2OS
Molecular Weight378.09 g/mol
Exact Mass375.89
IUPAC Name5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2cc(Br)c(Br)s2)ccc1=O
InChIInChI=1S/C11H10Br2N2OS/c1-15-6-7(2-3-10(15)16)14-5-8-4-9(12)11(13)17-8/h2-4,6,14H,5H2,1H3
InChIKeySKAVARLAUSITDD-UHFFFAOYSA-N
XLogP3.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72049144
N-[(5-bromothiophen-2-yl)methyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72049646
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
4,5-Dibromo-N-isopropylthiophene-2-carboxamide
CID 7534835
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 45827530
N-[(5-bromothiophen-2-yl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32777819
1-[2-[(4-Bromothiophen-2-yl)methylamino]ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279833
1-[2-[(4-Bromothiophen-2-yl)methylamino]ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310570
1-[(5-Bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318591
1-[(5-Bromothiophen-2-yl)methyl]-5-fluoropyridin-2-one
CID 100678508
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 42012010

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one (CID 102834614) is 5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one is Cn1cc(NCc2cc(Br)c(Br)s2)ccc1=O.
What is the InChIKey of 5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The InChIKey is SKAVARLAUSITDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2OS/c1-15-6-7(2-3-10(15)16)14-5-8-4-9(12)11(13)17-8/h2-4,6,14H,5H2,1H3.
What are the key properties of 5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one has a molecular weight of 378.09 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 102834614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).