N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine

C15H18BrN3S — CID 102832400

IUPACN-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESCc1sc(CNc2ccc(N3CCCC3)nc2)cc1Br
InChIInChI=1S/C15H18BrN3S/c1-11-14(16)8-13(20-11)10-17-12-4-5-15(18-9-12)19-6-2-3-7-19/h4-5,8-9,17H,2-3,6-7,10H2,1H3
InChIKeyRGIOJVLNXOOETQ-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.43
Rot. Bonds4

About N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 102832400) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
PubChem CID102832400
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
SMILESCc1sc(CNc2ccc(N3CCCC3)nc2)cc1Br
InChIInChI=1S/C15H18BrN3S/c1-11-14(16)8-13(20-11)10-17-12-4-5-15(18-9-12)19-6-2-3-7-19/h4-5,8-9,17H,2-3,6-7,10H2,1H3
InChIKeyRGIOJVLNXOOETQ-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 62347146
2-bromo-4-[[(6-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63046580
N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690352
N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689504
N-[(2,4-dimethylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689488
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
4-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-methylaniline
CID 102830288
N-[(5-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724710
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 102831930
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-ethoxyaniline
CID 102830088
N-[(2-methylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 62748048

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine (CID 102832400) is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine is Cc1sc(CNc2ccc(N3CCCC3)nc2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is RGIOJVLNXOOETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-11-14(16)8-13(20-11)10-17-12-4-5-15(18-9-12)19-6-2-3-7-19/h4-5,8-9,17H,2-3,6-7,10H2,1H3.
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine?
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 352.30 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 102832400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).