N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C13H13BrN2S — CID 113390813

IUPACN-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESBrc1ccc(CNc2ccc3c(n2)CCC3)s1
InChIInChI=1S/C13H13BrN2S/c14-12-6-5-10(17-12)8-15-13-7-4-9-2-1-3-11(9)16-13/h4-7H,1-3,8H2,(H,15,16)
InChIKeyMXOBZZIPSOOTGE-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.01
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 113390813) has the molecular formula C13H13BrN2S and a molecular weight of 309.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID113390813
Molecular FormulaC13H13BrN2S
Molecular Weight309.23 g/mol
Exact Mass308.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESBrc1ccc(CNc2ccc3c(n2)CCC3)s1
InChIInChI=1S/C13H13BrN2S/c14-12-6-5-10(17-12)8-15-13-7-4-9-2-1-3-11(9)16-13/h4-7H,1-3,8H2,(H,15,16)
InChIKeyMXOBZZIPSOOTGE-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 113390813) is N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is Brc1ccc(CNc2ccc3c(n2)CCC3)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is MXOBZZIPSOOTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2S/c14-12-6-5-10(17-12)8-15-13-7-4-9-2-1-3-11(9)16-13/h4-7H,1-3,8H2,(H,15,16).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 309.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 113390813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).