5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile

C11H9BrN4S — CID 103468530

IUPAC5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2cc(Br)cs2)c(N)c1
InChIInChI=1S/C11H9BrN4S/c12-8-2-9(17-6-8)5-16-11-10(14)1-7(3-13)4-15-11/h1-2,4,6H,5,14H2,(H,15,16)
InChIKeyNUUUECYXYJLXKJ-UHFFFAOYSA-N
MW309.19 g/mol
LogP2.97
Rot. Bonds3

About 5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile

5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 103468530) has the molecular formula C11H9BrN4S and a molecular weight of 309.19 g/mol. Its IUPAC name is 5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID103468530
Molecular FormulaC11H9BrN4S
Molecular Weight309.19 g/mol
Exact Mass307.97
IUPAC Name5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2cc(Br)cs2)c(N)c1
InChIInChI=1S/C11H9BrN4S/c12-8-2-9(17-6-8)5-16-11-10(14)1-7(3-13)4-15-11/h1-2,4,6H,5,14H2,(H,15,16)
InChIKeyNUUUECYXYJLXKJ-UHFFFAOYSA-N
XLogP2.97
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468821
5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 103468421
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile
CID 106167287
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468425
2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine
CID 115474210
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
4-N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80836890
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
4-N-[(4-bromothiophen-2-yl)methyl]quinazoline-4,7-diamine
CID 65336460
5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile (CID 103468530) is 5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile is N#Cc1cnc(NCc2cc(Br)cs2)c(N)c1.
What is the InChIKey of 5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is NUUUECYXYJLXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4S/c12-8-2-9(17-6-8)5-16-11-10(14)1-7(3-13)4-15-11/h1-2,4,6H,5,14H2,(H,15,16).
What are the key properties of 5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile?
5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 309.19 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).