3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine

C13H15BrN2S — CID 104776938

IUPAC3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine
SMILESCCCC(Nc1ccncc1Br)c1cccs1
InChIInChI=1S/C13H15BrN2S/c1-2-4-12(13-5-3-8-17-13)16-11-6-7-15-9-10(11)14/h3,5-9,12H,2,4H2,1H3,(H,15,16)
InChIKeyXOYBXJPFNSXQFU-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.86
Rot. Bonds5

About 3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine

3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine (PubChem CID 104776938) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine
PubChem CID104776938
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine
SMILESCCCC(Nc1ccncc1Br)c1cccs1
InChIInChI=1S/C13H15BrN2S/c1-2-4-12(13-5-3-8-17-13)16-11-6-7-15-9-10(11)14/h3,5-9,12H,2,4H2,1H3,(H,15,16)
InChIKeyXOYBXJPFNSXQFU-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 104776798
3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine
CID 104776944
5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 106997660
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
CID 81243701
2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine
CID 113367648
4-bromo-2-(1-thiophen-2-ylbutylamino)benzoic acid
CID 114907313
3-bromo-N-heptan-2-ylpyridin-4-amine
CID 104776911
3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide
CID 105069176
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine (CID 104776938) is 3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine is CCCC(Nc1ccncc1Br)c1cccs1.
What is the InChIKey of 3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine?
The InChIKey is XOYBXJPFNSXQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-2-4-12(13-5-3-8-17-13)16-11-6-7-15-9-10(11)14/h3,5-9,12H,2,4H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine?
3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine has a molecular weight of 311.25 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine is sourced from PubChem (CID 104776938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).