N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine

C17H23N3S — CID 43690335

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine
SMILESCc1ccc(C(C)Nc2ccc(N3CCCCC3)nc2)s1
InChIInChI=1S/C17H23N3S/c1-13-6-8-16(21-13)14(2)19-15-7-9-17(18-12-15)20-10-4-3-5-11-20/h6-9,12,14,19H,3-5,10-11H2,1-2H3
InChIKeyHRSRFIPETDIJCY-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.61
Rot. Bonds4

About N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine

N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine (PubChem CID 43690335) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine
PubChem CID43690335
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine
SMILESCc1ccc(C(C)Nc2ccc(N3CCCCC3)nc2)s1
InChIInChI=1S/C17H23N3S/c1-13-6-8-16(21-13)14(2)19-15-7-9-17(18-12-15)20-10-4-3-5-11-20/h6-9,12,14,19H,3-5,10-11H2,1-2H3
InChIKeyHRSRFIPETDIJCY-UHFFFAOYSA-N
XLogP4.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-imidazol-1-yl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-3-amine
CID 43710648
N-[1-(3-methylpyrazin-2-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 102613252
N-[1-(4-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689538
N-[1-(furan-2-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689581
N-[1-(2-chlorophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689544
N-pentan-2-yl-6-piperidin-1-ylpyridin-3-amine
CID 43690334
N-[1-(1H-pyrazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 54881348
4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
(6-piperidin-1-yl-3-pyridinyl)hydrazine
CID 55281305
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
N-hex-5-en-2-yl-6-piperidin-1-ylpyridin-3-amine
CID 104584130
N-(2-methylbutyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689479

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine (CID 43690335) is N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine is Cc1ccc(C(C)Nc2ccc(N3CCCCC3)nc2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine?
The InChIKey is HRSRFIPETDIJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-6-8-16(21-13)14(2)19-15-7-9-17(18-12-15)20-10-4-3-5-11-20/h6-9,12,14,19H,3-5,10-11H2,1-2H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine has a molecular weight of 301.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-6-piperidin-1-ylpyridin-3-amine is sourced from PubChem (CID 43690335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).