N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine

C15H18BrN3S — CID 43690352

IUPACN-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
SMILESBrc1cc(CNc2ccc(N3CCCCC3)nc2)cs1
InChIInChI=1S/C15H18BrN3S/c16-14-8-12(11-20-14)9-17-13-4-5-15(18-10-13)19-6-2-1-3-7-19/h4-5,8,10-11,17H,1-3,6-7,9H2
InChIKeyPCQQCIOSENLRPH-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.51
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine

N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine (PubChem CID 43690352) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
PubChem CID43690352
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
SMILESBrc1cc(CNc2ccc(N3CCCCC3)nc2)cs1
InChIInChI=1S/C15H18BrN3S/c16-14-8-12(11-20-14)9-17-13-4-5-15(18-10-13)19-6-2-1-3-7-19/h4-5,8,10-11,17H,1-3,6-7,9H2
InChIKeyPCQQCIOSENLRPH-UHFFFAOYSA-N
XLogP4.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[[(6-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63046580
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine
CID 133317555
N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689504
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 102832400
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 62347146
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 133335271
N-[(1-ethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 103823647
(6-piperidin-1-yl-3-pyridinyl)hydrazine
CID 55281305
N-(cyclopropylmethyl)-6-piperidin-1-ylpyridin-3-amine
CID 43690356
N-[(2-methylpyrazol-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690355

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine (CID 43690352) is N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine is Brc1cc(CNc2ccc(N3CCCCC3)nc2)cs1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine?
The InChIKey is PCQQCIOSENLRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c16-14-8-12(11-20-14)9-17-13-4-5-15(18-10-13)19-6-2-1-3-7-19/h4-5,8,10-11,17H,1-3,6-7,9H2.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine?
N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine has a molecular weight of 352.30 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine is sourced from PubChem (CID 43690352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).