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

C11H9BrN4S — CID 82814128

IUPAC3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2ccc(Br)s2)c1N
InChIInChI=1S/C11H9BrN4S/c12-9-2-1-8(17-9)6-16-11-10(14)7(5-13)3-4-15-11/h1-4H,6,14H2,(H,15,16)
InChIKeyUZCJJKMDXRTECH-UHFFFAOYSA-N
MW309.19 g/mol
LogP2.97
Rot. Bonds3

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

3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 82814128) has the molecular formula C11H9BrN4S and a molecular weight of 309.19 g/mol. Its IUPAC name is 3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
PubChem CID82814128
Molecular FormulaC11H9BrN4S
Molecular Weight309.19 g/mol
Exact Mass307.97
IUPAC Name3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2ccc(Br)s2)c1N
InChIInChI=1S/C11H9BrN4S/c12-9-2-1-8(17-9)6-16-11-10(14)7(5-13)3-4-15-11/h1-4H,6,14H2,(H,15,16)
InChIKeyUZCJJKMDXRTECH-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

Analyze 3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile
CID 62672701
3-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 114287628
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063898
3-amino-2-[(2-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816953
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
CID 82816661
3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816673
3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 82817712
2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid
CID 82817313
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947
3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile
CID 82816718
3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540435

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile (CID 82814128) is 3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCc2ccc(Br)s2)c1N.
What is the InChIKey of 3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is UZCJJKMDXRTECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4S/c12-9-2-1-8(17-9)6-16-11-10(14)7(5-13)3-4-15-11/h1-4H,6,14H2,(H,15,16).
What are the key properties of 3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile?
3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-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 3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 82814128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).